SCHEMBL4259236

SCHEMBL4259236

CC(=O)c1ccc(C#N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
XDH P47989 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
P4HB P07237 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
TMPRSS4 Q9NRS4 2/20 0.42
PPARD Q03181 1/20 0.42
PRKDC P78527 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL311893 0.85 TMPRSS4 (0.52) ALDH1A1CYP3A4HPGDMAPK1XDH
SCHEMBL4962858 0.82 XDH (0.68) ALDH1A1CYP3A4XDHSLC22A12MAPT
SCHEMBL3361866 0.81 LRRK2 (0.48) ALDH1A1XDHSLC22A12MAPTCA2
SCHEMBL8757233 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPK1XDHSLC22A12MAPT
SCHEMBL5045602 0.81 XDH (0.49) ALDH1A1HPGDXDHSLC22A12P4HB
SCHEMBL27904544 0.80 HSP90AB1 (0.61) ALDH1A1CYP3A4HPGDXDHSLC22A12
SCHEMBL17414612 0.80 XDH (0.45) ALDH1A1XDHSLC22A12P4HBCXCR1
SCHEMBL5961092 0.80 CA12 (0.61) ALDH1A1HPGDXDHSLC22A12CXCR1
SCHEMBL12780392 0.80 XDH (0.45) CYP3A4XDHSLC22A12P4HBCXCR1
SCHEMBL3362814 0.79 FLT1 (0.51) ALDH1A1TMPRSS4MAPT

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
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
CN-101541809-A Spiroketone acetyl-CoA carboxylase inhibitors PFIZER PROD INC (US) 2009-09-23 CN disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI ALDH1A1 2733/4885CYP3A4 1069/4885HPGD 2083/4885
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3201/4885CYP3A4 2015/4885HPGD 887/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ALDH1A1 212/4885CYP3A4 1414/4885HPGD 1346/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 ALDH1A1 2406/4885CYP3A4 634/4885HPGD 2043/4885

“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.