SCHEMBL2582312

SCHEMBL2582312

C=CCc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 6/20 0.54
ALOX12 P18054 5/20 0.54
TSHR P16473 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
ALOX15 P16050 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 2/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR2B P41595 1/20 0.54
CYP3A4 P08684 6/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44

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
Diphenylamine SCHEMBL7578440 0.94 HSD17B10 (0.52) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL6406231 0.91 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL175889 0.91 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL3428485 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL1173026 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL28999966 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL4614917 0.82 MEN1 (0.44) ALDH1A1ALOX12TSHRL3MBTL1ALOX15
SCHEMBL6608023 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL11138322 0.81 CYP3A4 (0.58) ALDH1A1HSD17B10ALOX12TSHRALOX15
SCHEMBL7757717 0.80 ADRA2B (0.40) ALDH1A1HSD17B10ALOX12TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1969027-B1 ARYLAMINE POLYMER CAMBRIDGE DISPLAY TECH LTD (GB) 2013-10-02 EP disclosed
US-8399761-B2 Organic photovoltaic device with interfacial layer and method of fabricating same NORTHWESTERN UNIVERSITY (US) 2013-03-19 US disclosed
US-8399605-B2 Arylamine polymer CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-03-19 US disclosed
WO-2011136800-A1 ORGANIC PHOTOVOLTAIC DEVICE WITH INTERFACIAL LAYER AND METHOD OF FABRICATING SAME NORTHWESTERN UNIVERSITY (US) 2011-11-03 WO disclosed
US-20100252113-A1 ORGANIC PHOTOVOLTAIC DEVICE WITH INTERFACIAL LAYER AND METHOD OF FABRICATING SAME NORTHWESTERN UNIVERSITY (US) 2010-10-07 US disclosed
US-20080309229-A1 Arylamine Polymer CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2008-12-18 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 (1 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-20080309229-A1 Arylamine Polymer NAT1, AR, AHR ALDH1A1 627/4885HSD17B10 1121/4885ALOX12 3225/4885

“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.