SCHEMBL3720965

SCHEMBL3720965

C1=Cc2cccc1c2.OBO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
Methane SCHEMBL11025644 0.83
Hydrazine SCHEMBL9789741 0.78 CYP3A4 (0.35) CYP3A4
Phosphonic Acid SCHEMBL18063820 0.77 CA12 (0.30) CA12ALDH1A1CA2LMNACYP3A4
SCHEMBL5951676 0.75 ACHE (0.33)
SCHEMBL5702201 0.75
SCHEMBL536700 0.67
Resorcinol SCHEMBL28632269 0.65 CA12 (0.80) CA12ALDH1A1CA2LMNACYP3A4
SCHEMBL4258759 0.62 CA12 (0.33) CA12ALDH1A1CA2LMNACYP3A4
SCHEMBL2056721 0.62 CA12 (0.33) CA12ALDH1A1CA2LMNACYP3A4
SCHEMBL960763 0.62 CA12 (0.33) CA12ALDH1A1CA2LMNACYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166918-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS Scinopharm Taiwan, Ltd. (TW) 2017-05-17 EP disclosed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 EP disclosed
WO-2016005943-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-L-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 WO disclosed
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 WO disclosed
US-7700148-B2 Electroluminescent device TOPPAN PRINTING CO., LTD. (JP) 2010-04-20 US disclosed
US-20060216411-A1 Electroluminescent device TOPPAN PRINTING CO., LTD (JP) 2006-09-28 US disclosed
EP-1665895-A1 ELECTROLUMINESCENT DEVICE Toppan Printing Co., Ltd (JP) 2006-06-07 EP disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
WO-2005027583-A1 ELECTROLUMINESCENT DEVICE TOPPAN PRINTING CO. LTD. (JP) 2005-03-24 WO disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 WO disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A CA12 3977/4885ALDH1A1 317/4885CA2 4329/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA12 3969/4885ALDH1A1 198/4885CA2 4267/4885

“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.