SCHEMBL1654658

SCHEMBL1654658

CCc1c(OC)ccc2cc(C(=O)O)c(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.64
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ CA3 P07451 2/20 0.64
▸ CA6 P23280 2/20 0.64
▸ CA5A P35218 2/20 0.64
▸ CA7 P43166 2/20 0.64
▸ CA9 Q16790 2/20 0.64
▸ CA14 Q9ULX7 2/20 0.64
▸ CA5B Q9Y2D0 2/20 0.64
▸ CA4 P22748 1/20 0.64
▸ GPR35 Q9HC97 7/20 0.54
▸ S1PR1 P21453 4/20 0.53
▸ SLC16A3 O15427 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ CNR2 P34972 1/20 0.48
▸ CYP1A2 P05177 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
SCHEMBL1656809 0.90 S1PR1 (0.64) CA12CA1CA2CA3CA6
SCHEMBL1654646 0.86 MAOB (0.60) CA12CA2CA3CA6CA7
SCHEMBL1406414 0.82 CA12 (0.68) CA12CA1CA2CA3CA6
SCHEMBL982766 0.82 CA12 (0.68) CA12CA1CA2CA3CA6
SCHEMBL1654636 0.82 CA12 (0.61) CA12CA1CA2CA3CA6
SCHEMBL4522469 0.78 TP53 (0.61) S1PR1MAOA
SCHEMBL980310 0.78 CA12 (1.00) CA12CA1CA2CA3CA6
SCHEMBL3882544 0.77 S1PR1 (0.54) CA12CA1CA2CA5ACA7
SCHEMBL3950744 0.77 TP53 (0.57) S1PR1MAOACNR2
SCHEMBL1654270 0.77 CA12 (0.61) CA12CA1CA2CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572792-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2017-02-21 — — US disclosed
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2015-09-24 — — US disclosed
US-9073888-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2015-07-07 — — US disclosed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 — — EP disclosed
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2012-12-27 — — US disclosed
EP-2491023-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-08-29 — — EP disclosed
WO-2011050054-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-04-28 — — 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-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 CA12 4409/4885CA1 4396/4885CA2 2566/4885
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 CA12 4409/4885CA1 4396/4885CA2 2566/4885

“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.

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