SCHEMBL1589841

SCHEMBL1589841

COc1cc2c(cc1OC)CCC(C(=O)O)=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
MAOA P21397 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TPMT P51580 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA3 P07451 1/20 0.37

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
SCHEMBL9621100 0.90 KDM4E (0.41) KDM4EALDH1A1GLAMAOACA12
SCHEMBL9621103 0.90 KDM4E (0.41) KDM4EALDH1A1GLAMAOACA12
SCHEMBL9621005 0.90 KDM4E (0.41) KDM4EALDH1A1GLAMAOACA12
SCHEMBL8483357 0.89 GPR35 (0.37) KDM4EALDH1A1GLAMAOACA12
Hydrochloric Acid SCHEMBL10448152 0.89 KDM4E (0.40) KDM4EALDH1A1GLAMAOACA12
SCHEMBL1589895 0.85 KDM4E (0.41) KDM4EALDH1A1GLAMAOACYP3A4
SCHEMBL28025224 0.85 KDM4E (0.41) KDM4EALDH1A1GLAMAOACA12
SCHEMBL10439343 0.85 KDM4E (0.41) KDM4EALDH1A1GLAMAOACA12
SCHEMBL1590323 0.85 CYP3A4 (0.45) KDM4EALDH1A1GLAMAOACA12
SCHEMBL4275739 0.84 KDM4E (0.39) KDM4EALDH1A1GLAMAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947073-B1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2019-04-03 EP disclosed
EP-2947073-B1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2019-04-03 EP disclosed
CN-105153188-B The fused ring analogs of antifibrotic agents 法博太科制药有限公司 2018-06-01 CN disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
CN-105153188-A Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2015-12-16 CN disclosed
EP-2947073-A2 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics Pty Ltd (AU) 2015-11-25 EP disclosed
EP-2947073-A2 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics Pty Ltd (AU) 2015-11-25 EP disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2012-10-25 US disclosed
EP-2491030-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2012-08-29 EP disclosed
CN-102574843-A Fused ring analogs of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2012-07-11 CN disclosed
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 WO disclosed
US-7875617-B2 N-[4-(2-methoxyphenyl)piperazin-1-yl)butyl]-3,4-dihydro-6-fluoro-2-naphthamide for treating neuropsychological disorder selected from Parkinson's disease, schizophrenia and depression; partial agonists or antagonists of the dopamine D3 receptor INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-01-25 US disclosed
US-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-05-14 US disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 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 (3 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 KDM4E 1681/4885ALDH1A1 1066/4885GLA 858/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 KDM4E 1681/4885ALDH1A1 1066/4885GLA 858/4885
US-20090124630-A1 3, 4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AS SELECTIVE DOPAMINE D3 LIGANDS DRD3, SLC6A3, DRD2 KDM4E 3894/4885ALDH1A1 1080/4885GLA 3200/4885

“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.