SCHEMBL1656809

SCHEMBL1656809

CCCc1c(OC)ccc2cc(C(=O)O)c(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.64
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA3 P07451 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA6 P23280 1/20 0.61
▸ CA5A P35218 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CA5B Q9Y2D0 1/20 0.61
▸ GPR35 Q9HC97 5/20 0.52
▸ CNR2 P34972 3/20 0.49
▸ SLC16A3 O15427 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL1654658 0.90 CA12 (0.64) S1PR1CA12CA1CA2CA3
SCHEMBL3330816 0.87 S1PR1 (0.61) S1PR1CA12CA2CA3CA4
SCHEMBL3880404 0.85 S1PR1 (0.49) S1PR1CA12CA1CA2CA3
SCHEMBL14322156 0.81 S1PR1 (0.84) S1PR1CNR2ALDH1A1MAOAKMT2A
SCHEMBL14322300 0.81 S1PR1 (0.68) S1PR1CNR2MAOAMAPK1
SCHEMBL1406414 0.80 CA12 (0.68) CA12CA1CA2CA3CA4
SCHEMBL982766 0.80 CA12 (0.68) CA12CA1CA2CA3CA4
SCHEMBL1654636 0.80 CA12 (0.61) CA12CA1CA2CA3CA4
SCHEMBL1656813 0.80 S1PR1 (0.81) S1PR1CNR2ALDH1A1MAOAKMT2A
SCHEMBL1653783 0.80 S1PR1 (0.81) S1PR1CNR2ALDH1A1MAOAKMT2A

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 16 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
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 — — US disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 — — US disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 — — US disclosed
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 — — US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 — — EP disclosed
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 — — EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 — — WO disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 — — WO disclosed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 — — 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 (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-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 S1PR1 2/4885CA12 4409/4885CA1 4396/4885
US-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 S1PR1 3084/4885CA12 3337/4885CA1 4633/4885
US-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 S1PR1 3766/4885CA12 3680/4885CA1 4141/4885
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 S1PR1 2/4885CA12 4409/4885CA1 4396/4885

“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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