SCHEMBL2534907

SCHEMBL2534907

c1cc2c3c(cccc3c1)-c1c-2ccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPK1 P28482 5/20 0.54
TSHR P16473 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 2/20 0.54
HPGD P15428 4/20 0.52
CYP1A2 P05177 3/20 0.52
THRB P10828 1/20 0.52
CASP1 P29466 3/20 0.48
HIF1A Q16665 3/20 0.48
CASP7 P55210 2/20 0.48
TP53 P04637 2/20 0.48
DNMT1 P26358 2/20 0.44
CYP3A4 P08684 1/20 0.44
PABPC1 P11940 1/20 0.44
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL23328046 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL30046632 0.85 HPRT1 (0.52) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL2484789 0.85 HPRT1 (0.52) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL29177897 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL4846292 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL30021493 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL28571937 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL30021630 0.82 DNMT1 (0.47) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
Benzo(J)Fluoranthene SCHEMBL69111 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1
SCHEMBL30333703 0.81 HPRT1 (0.52) ALDH1A1HSD17B10MAPK1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288497-B2 Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-16 US disclosed
US-20110257356-A1 Synthesis of Poly-(P-Aryleneethynylene)s in Neat Water Under Aerobic Conditions THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-20 US disclosed
US-7674533-B2 Dibenzoanthracene derivatives, organic electroluminescent devices, and display apparatus SONY CORPORATION (JP) 2010-03-09 US disclosed
US-20090326150-A1 SYNTHESIS OF POLY-(P-ARYLENEETHYNYLENE)S IN NEAT WATER UNDER AEROBIC CONDIT THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-12-31 US disclosed
CN-100417637-C Anthracene derivative, organic electroluminescent device, and display device SONY CORP (JP) 2008-09-10 CN disclosed
US-20070087223-A1 Dibenzoanthracene derivatives, organic electroluminescent devices, and display apparatus SONY CORPORATION 2007-04-19 US disclosed
US-20060182994-A1 Anthracene derivative, organic electroluminescent device, and display unit SONY CORPORATION (JP) 2006-08-17 US disclosed
CN-1807396-A Anthracene derivative, organic electroluminescent device, and display device SONY CORP (JP) 2006-07-26 CN 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-20060182994-A1 Anthracene derivative, organic electroluminescent device, and display unit C1S, F10, F12 ALDH1A1 193/4885HSD17B10 236/4885MAPK1 551/4885
US-20070087223-A1 Dibenzoanthracene derivatives, organic electroluminescent devices, and display apparatus CDYL2, CDYL, CD22 ALDH1A1 690/4885HSD17B10 757/4885MAPK1 356/4885

“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.