SCHEMBL8988602

SCHEMBL8988602

COC(=O)CCc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.49
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
F2RL1 P55085 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKR1B1 P15121 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL24837831 0.89 ALDH1A1 (0.61) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL1587088 0.89 FFAR1 (0.59) CYP4F2CYP4A11ALDH1A1LMNACA2
SCHEMBL22922181 0.88 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1HSD17B10LMNA
SCHEMBL23582837 0.85 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1LMNAGAA
SCHEMBL11243916 0.85 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1HSD17B10KDM4E
SCHEMBL4104271 0.84 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL23599298 0.84 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL2806436 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNATDP1AKR1B1
SCHEMBL30638390 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNATDP1AKR1B1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.82 TDP1 (0.68) ALDH1A1KDM4ELMNATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-09 US disclosed
US-9499479-B2 Molecules that selectively inhibit histone deacetylase 6 relative to histone deacetylase 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-11-22 US disclosed
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
EP-2763531-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
WO-2013052110-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-04-11 WO disclosed
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 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 (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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885ALDH1A1 378/4885
US-20170066712-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE HDAC7, HDAC3, HDAC8 CYP4F2 3819/4885CYP4A11 3040/4885ALDH1A1 2224/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885ALDH1A1 378/4885
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 HDAC7, HDAC3, HDAC1 CYP4F2 3895/4885CYP4A11 2898/4885ALDH1A1 2308/4885

“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.