SCHEMBL1714263

SCHEMBL1714263

COc1ccc(C(C)C)cc1CCl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TACR1 P25103 2/20 0.42
HTR2A P28223 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL8390906 0.83 HDAC4 (0.44) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL9886091 0.83 TAAR1 (0.49) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL7215620 0.81 HTR2A (0.45) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL12120766 0.81 HTR2A (0.49) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL6406971 0.81 PDE4A (0.46) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL11951545 0.81 IDO1 (0.43) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL2662868 0.81 HDAC4 (0.43) HDAC4HDAC8TACR1HTR2ACYP2D6
SCHEMBL7439241 0.80 HDAC4 (0.46) HDAC4HDAC8TACR1ALDH1A1SMN1; SMN2
SCHEMBL19236834 0.78 HSD17B10 (0.46) HDAC4HDAC8TACR1ALDH1A1POLB
SCHEMBL19737446 0.77 CYP1A2 (0.46) HDAC4HDAC8TACR1HTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-1817282-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-08-15 EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 WO disclosed
CN-1087737-C Dihygropyridine derivatives as bradykinin antagonists PFIZER (US) 2002-07-17 CN disclosed
EP-0585328-B1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER (US) 2002-01-09 EP disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
US-5852038-A Substituted 3-aminoquinuclidines PFIZER INC (US) 1998-12-22 US disclosed
US-5716965-A Substituted 3-aminoquinuclidines PFIZER INC. (US) 1998-02-10 US disclosed
CN-1156449-A Dihygropyridine derivatives as bradykinin antagonists PFIZER (US) 1997-08-06 CN disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
EP-0585328-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1994-03-09 EP disclosed
WO-1992020676-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1992-11-26 WO disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 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 (1 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH HDAC4 1513/4885HDAC8 2392/4885TACR1 1571/4885

“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.