SCHEMBL4171779

SCHEMBL4171779

c1ccc2cc(Nc3cccc4c(Nc5ccc6ccccc6c5)cccc34)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CDC25B P30305 4/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.57
FADS1 O60427 1/20 0.56
RAB9A P51151 3/20 0.54
MAPK14 Q16539 2/20 0.51

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
SCHEMBL557025 0.94 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL29365372 0.94 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL22852097 0.90 MAPK14 (0.58) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL28154822 0.89 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL23765186 0.88 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL20550403 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL29688279 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL1923372 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL22923177 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL17422012 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10HPGDMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9705094-B2 Organic semiconductor compound, organic thin film including same, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-07-11 US disclosed
US-9705094-B2 Organic semiconductor compound, organic thin film including same, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-07-11 US disclosed
US-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-26 US disclosed
US-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-26 US disclosed
US-8614009-B2 Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-12-24 US disclosed
US-20090072716-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-19 US disclosed
EP-1876165-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-01-09 EP 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-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SOAT1, GJA1, OR10J3 ALDH1A1 2158/4885CYP3A4 1270/4885HSD17B10 2790/4885
US-20090072716-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME TYR, MAOA, AOC2 ALDH1A1 556/4885CYP3A4 1698/4885HSD17B10 3888/4885

“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.