SCHEMBL17600561

SCHEMBL17600561

CCCCCCc1ccc(-c2nccc3ccccc23)cc1.CCCCCCc1ccc(-c2nccc3ccccc23)cc1.CCCCCCc1ccc(-c2nccc3ccccc23)cc1.[Ir]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HSD11B1 P28845 1/20 0.45
HTR2A P28223 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 0.41
ATM Q13315 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28095643 1.00 HSD17B10 (0.45) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL28746601 0.99 HSD17B10 (0.46) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL3134468 0.99 HSD17B10 (0.46) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL3142147 0.99 HSD17B10 (0.46) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL30273419 0.97 HSD17B10 (0.45) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL27551421 0.97 HSD11B1 (0.47) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL10460557 0.93 HSD11B1 (0.46) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL13169298 0.88 ALDH1A1 (0.42) HSD17B10ALDH1A1MAPTKDM4ERAB9A
SCHEMBL3142406 0.87 PDE10A (0.48) HSD17B10ALDH1A1MAPTKDM4ERAB9A
Acetoacetic Acid SCHEMBL29708957 0.84 TRPV1 (0.40) ALDH1A1MAPTRAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263550-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2020-11-25 EP disclosed
EP-3174116-B1 CHARGE-TRANSPORTING MATERIAL NISSAN CHEMICAL CORP (JP) 2020-09-23 EP disclosed
US-10211412-B2 Charge-transporting varnish, charge-transporting thin film and method for manufacturing same, and organic electroluminescent element and method for manufacturing same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-02-19 US disclosed
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-08 US disclosed
US-10164196-B2 Aniline derivative, charge-transporting varnish and organic electroluminescent device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-12-25 US disclosed
EP-3168889-B1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING THIN FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NISSAN CHEMICAL IND LTD (JP) 2018-09-12 EP disclosed
US-9954189-B2 Organic metal compound and organic light-emitting device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-04-24 US disclosed
EP-3249710-A1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2017-11-29 EP disclosed
US-9780309-B2 Triphenylamine derivative and use therefor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-10-03 US disclosed
US-20170155060-A1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING THIN FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 US disclosed
EP-3168889-A1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING THIN FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME Nissan Chemical Industries, Ltd. (JP) 2017-05-17 EP disclosed
EP-3121163-A1 OLIGOANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2017-01-25 EP disclosed
US-20170005272-A1 ANILINE DERIVATIVE AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-05 US disclosed
US-20160293893-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-06 US disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
EP-3056484-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-08-17 EP disclosed
US-20160164006-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20160141507-A1 ANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-19 US disclosed
US-20160087220-A1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10164196-B2 Aniline derivative, charge-transporting varnish and organic electroluminescent device SLC7A5, SLC43A1, SLC9A5 HSD17B10 685/4885ALDH1A1 116/4885MAPT 1063/4885
US-10211412-B2 Charge-transporting varnish, charge-transporting thin film and method for manufacturing same, and organic electroluminescent element and method for manufacturing same SLCO4C1, SLC43A1, SLC18A2 HSD17B10 2526/4885ALDH1A1 407/4885MAPT 146/4885
US-20170005272-A1 ANILINE DERIVATIVE AND USE THEREOF SLC43A1, SLC7A5, SLC18A1 HSD17B10 1487/4885ALDH1A1 693/4885MAPT 945/4885
US-20160164006-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME ALDH16A1, ALDH3A1, L1CAM HSD17B10 1473/4885ALDH1A1 5/4885MAPT 1625/4885
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND ARSA, SULT2A1, SULT1A1 HSD17B10 294/4885ALDH1A1 132/4885MAPT 4773/4885
US-20160141507-A1 ANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC43A1, SLC9A5 HSD17B10 685/4885ALDH1A1 116/4885MAPT 1063/4885
US-20160087220-A1 TRIPHENYLAMINE DERIVATIVE AND USE THEREFOR SLC7A1, SLC7A5, SLC7A11 HSD17B10 1463/4885ALDH1A1 168/4885MAPT 2843/4885
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound ARSA, SULT2A1, SULT1A1 HSD17B10 294/4885ALDH1A1 132/4885MAPT 4773/4885
US-20170155060-A1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING THIN FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME SLCO4C1, SLC43A1, SLC18A2 HSD17B10 2526/4885ALDH1A1 407/4885MAPT 146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.