SCHEMBL3616574

SCHEMBL3616574

O=C(O)c1cccc2c1-c1ccccc1-2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MAPT P10636 2/20 0.74
LMNA P02545 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.62
HNF4A P41235 1/20 0.59
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
GFER P55789 1/20 0.57
KMT2A Q03164 1/20 0.57
MYC P01106 1/20 0.57
ALOX15 P16050 1/20 0.56
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.52
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 1/20 0.50
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48

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
SCHEMBL31278212 1.00 ALDH1A1 (0.74) ALDH1A1MAPTLMNAL3MBTL1HNF4A
Hydrochloric Acid SCHEMBL15366836 0.98 ALDH1A1 (0.71) ALDH1A1MAPTLMNAL3MBTL1HNF4A
Hydrochloric Acid SCHEMBL2402126 0.98 ALDH1A1 (0.71) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL5089936 0.89 ALDH1A1 (0.66) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL69716 0.88 ALDH1A1 (0.69) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL70265 0.88 ALDH1A1 (0.63) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL87757 0.85 HNF4A (0.69) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL581124 0.85 ALDH1A1 (1.00) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL600330 0.85 ALDH1A1 (0.85) ALDH1A1MAPTLMNAL3MBTL1HNF4A
SCHEMBL31276140 0.85 ALDH1A1 (0.85) ALDH1A1MAPTLMNAL3MBTL1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764566-A HIGH STRENGTH ALLIED-SIGNAL INC. (US) 1988-08-16 US claimed
CN-110386934-A Compound and the organic electroluminescent device for utilizing it 株式会社斗山 2019-10-29 CN disclosed
CN-107522703-A Organic compound and organic electro-optic device and display device for photoelectric device 三星SDI株式会社 2017-12-29 CN disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
CN-101649043-A Polyester for producing fiber, and fiber and non-woven fabric using the same SUMITOMO CHEMICAL CO JP 2010-02-17 CN disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP disclosed
US-4764566-A HIGH STRENGTH ALLIED-SIGNAL INC. (US) 1988-08-16 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 ALDH1A1 445/4885MAPT 680/4885LMNA 2035/4885

“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.