SCHEMBL1590323

SCHEMBL1590323

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TPMT P51580 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ACHE P22303 1/20 0.39
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KDM4E B2RXH2 3/20 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
SCHEMBL1589841 0.85 KDM4E (0.42) CYP3A4MAPTBRD4CA12CA1
SCHEMBL1590343 0.85 CA12 (0.48) CYP3A4MAPTBRD4CA12CA2
SCHEMBL9620545 0.85 CYP3A4 (0.44) CYP3A4MAPTBRD4ACHEKDM4E
SCHEMBL24175171 0.83 STING1 (0.45) CYP3A4MAPTBRD4ACHEALDH1A1
SCHEMBL9621100 0.82 KDM4E (0.41) CYP3A4MAPTBRD4CA12CA1
SCHEMBL9621103 0.82 KDM4E (0.41) CYP3A4MAPTBRD4CA12CA1
SCHEMBL9621005 0.82 KDM4E (0.41) CYP3A4MAPTBRD4CA12CA1
Hydrochloric Acid SCHEMBL10448152 0.81 KDM4E (0.40) CYP3A4MAPTBRD4CA12CA1
SCHEMBL13556327 0.77 LDHA (0.31) MAPTTPMTKDM4EALDH1A1
SCHEMBL1589645 0.77 CHEK1 (0.58) CYP3A4MAPTPKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
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-20130338151-A9 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2013-12-19 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
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 WO 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 (4 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 CYP3A4 4681/4885MAPT 4668/4885BRD4 394/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 CYP3A4 4681/4885MAPT 4668/4885BRD4 394/4885
US-20130338151-A9 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 CYP3A4 4681/4885MAPT 4668/4885BRD4 394/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB CYP3A4 672/4885MAPT 191/4885BRD4 343/4885

“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.