SCHEMBL71815

SCHEMBL71815

Cc1ccc(C(O)(C(=O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.61
CYP2D6 P10635 1/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 1/20 0.42

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
Bromomethane SCHEMBL3169377 0.96 CYP2C9 (0.57) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL4887272 0.94 CYP2C9 (0.64) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL28905903 0.90 CYP2C9 (0.52) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL4619076 0.85 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL339284 0.81 ALDH1A1 (0.46) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL71814 0.81 TSHR (0.44) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL31097913 0.81 ALDH1A1 (0.46) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL2207056 0.81 ALDH1A1 (0.46) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL15365017 0.81 CYP2C9 (0.61) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2
SCHEMBL2696567 0.81 ALDH1A1 (0.46) CYP2C9CYP2D6HIF1AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084827-B2 Biodegradable polyurethane/urea compositions POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2015-07-21 US claimed
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2014-04-10 US claimed
US-20130150964-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-06-13 US claimed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
US-9687478-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2017-06-27 US disclosed
US-RE46417-E1 Quinuclidine derivatives and their use as muscarinic M3 receptor ligands ALMIRALL, S.A. (ES) 2017-05-30 US disclosed
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2016-10-13 US disclosed
EP-1200431-B3 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL SA (ES) 2015-06-24 EP disclosed
EP-1200431-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS Almirall Prodesfarma, S.A. (ES) 2002-05-02 EP disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
US-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 US disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 WO disclosed
US-5977115-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 1999-11-02 US disclosed
EP-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 WO disclosed
US-4855422-A Process for the preparation of azoniaspironortropanol esters MADAUS GMBH & CO. (DE) 1989-08-08 US 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 (6 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-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CYP2C9 1053/4885CYP2D6 466/4885HIF1A 3669/4885
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS PUF60, UMPS, COL2A1 CYP2C9 3092/4885CYP2D6 4423/4885HIF1A 320/4885
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO2, CHRM3 CYP2C9 1408/4885CYP2D6 783/4885HIF1A 3630/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 CYP2C9 2304/4885CYP2D6 1344/4885HIF1A 2954/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CYP2C9 1077/4885CYP2D6 463/4885HIF1A 3896/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 CYP2C9 1525/4885CYP2D6 514/4885HIF1A 3255/4885

“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.