SCHEMBL6912700

SCHEMBL6912700

CCCC(=O)OCC(CC)CC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CYP3A4 P08684 1/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
ENPP2 Q13822 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3740920 0.91 TSHR (0.62) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL27493864 0.90 TSHR (0.68) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL29104733 0.90 TSHR (0.58) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL420275 0.86 CYP3A4 (0.75) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL3740929 0.86 TSHR (0.69) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL246876 0.86 CYP3A4 (0.86) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL2344891 0.85 CYP3A4 (0.79) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL31486463 0.85 TSHR (0.77) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL418613 0.84 CYP3A4 (0.72) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL3756074 0.84 TSHR (0.61) TSHRCYP3A4ATMTDP1ALDH1A1

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
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
US-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2021-07-20 US disclosed
CN-109071693-B Resin composition for forming high refractive index cured film 日产化学株式会社 2021-05-11 CN disclosed
EP-3109914-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORP (JP) 2021-04-28 EP disclosed
EP-3252840-B1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL CORP (JP) 2020-03-11 EP disclosed
EP-3249710-B1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL CORP (JP) 2019-11-13 EP disclosed
US-10301484-B2 Varnish for formation of charge-transporting thin film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-28 US disclosed
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-01-31 US disclosed
US-20180002539-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-04 US disclosed
EP-3252840-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM Nissan Chemical Industries, Ltd. (JP) 2017-12-06 EP disclosed
EP-3249710-A1 CHARGE-TRANSPORTING VARNISH, CHARGE-TRANSPORTING FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2017-11-29 EP disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 WO disclosed
EP-3109914-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2016-12-28 EP disclosed
EP-0953560-B1 Method, catalyst and apparatus for producing acetaldehyde from acetic acid EASTMAN CHEM CO (US) 2004-05-26 EP disclosed
US-6121498-A HYDROGENATING ACETIC ACID USING IRON OXIDE CATALYST THAT CONTAINS PALLADIUM, ABSORBING ACETALDEHYDE FROM GASEOUS PRODUCT USING SOLVENT CONTAINING ACETIC ACID EASTMAN CHEMICAL COMPANY (US) 2000-09-19 US disclosed
US-6114475-A PROVIDING COMPOUND IN SOLID, LIQUID, OR GASEOUS FORM CAPABLE OF REDUCING THE BOILING POINT OF WATER BY AT LEAST ABOUT 2 DEGREES C, VAPORIZING COMPOUND, PASSING COMPOUND IN GASEOUS FORM INTO COOL REGIONS OF THE SYSTEM TO MIX WITH WATER UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-05 US disclosed
EP-0953560-A1 Method, catalyst and apparatus for producing acetaldehyde from acetic acid EASTMAN CHEMICAL COMPANY (US) 1999-11-03 EP disclosed
EP-0813590-A1 CLEANING PROCESS AND APPARATUS THE DOW CHEMICAL COMPANY (US) 1997-12-29 EP disclosed
WO-1996028535-A1 CLEANING PROCESS AND APPARATUS THE DOW CHEMICAL COMPANY (US) 1996-09-19 WO 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 (2 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-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer OR10J3, POF1B, ORC3 TSHR 4643/4885CYP3A4 376/4885ATM 1799/4885
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER OR10J3, POF1B, ORC3 TSHR 4643/4885CYP3A4 376/4885ATM 1799/4885

“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.