SCHEMBL141595

SCHEMBL141595

COc1ccc(/C(C)=C\C(=O)O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA7 P43166 1/20 0.62
TPMT P51580 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
TSHR P16473 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NQO2 P16083 2/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54

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
SCHEMBL141596 1.00 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL141594 1.00 CA12 (0.62) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL6782887 0.98 CA12 (0.61) CA12CA1CA2CA4CA6
SCHEMBL23789460 0.88 PDE4A (0.63) CA12CA1CA2CA4CA6
SCHEMBL9079788 0.87 HTT (0.65) CA12CA1CA2CA4CA6
SCHEMBL2352404 0.87 HTT (0.65) CA12CA1CA2CA4CA6
SCHEMBL10349675 0.85 TSHR (0.51) CA12CA1CA2CA4CA6
SCHEMBL10634998 0.85 ALDH1A1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL4181399 0.85 ALDH1A1 (0.63) CA12CA1CA2CA4CA6
SCHEMBL16294733 0.85 ALDH1A1 (0.46) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162928-B Halogenated analogs of anti-fibrotic agents 塞尔塔医疗有限公司 2022-03-11 CN disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 US disclosed
EP-2220028-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2010-08-25 EP disclosed
WO-2009079692-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2009-07-02 WO 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-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF CA12 2627/4885CA1 4128/4885CA2 3932/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF CA12 2627/4885CA1 4128/4885CA2 3932/4885

“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.