SCHEMBL6550839

SCHEMBL6550839

C=CCOc1cc(C#N)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL21728097 0.82 AR (0.44) TRPV4ALDH1A1HPGDKDM4EMAPT
SCHEMBL22140450 0.80 TRPV4 (0.43) TRPV4ALDH1A1HPGDKDM4EMEN1
SCHEMBL5665856 0.79 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL31431229 0.78 MAPT (0.59) TRPV4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL30223652 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL28961155 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPK1HSD17B10
SCHEMBL506595 0.77 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPK1MEN1
SCHEMBL28051189 0.75 KDM4E (0.57) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6817437 0.75 TRPV4 (0.40) TRPV4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL31432318 0.75 ALDH1A1 (0.47) TRPV4ALDH1A1HPGDKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191781-B Substituted triazole derivative and application thereof in preparation of anti-tumor metastasis drugs 浙江大学 2020-01-21 CN disclosed
CN-1529591-A Method for synthesizing phenol-containing compounds ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-15 CN disclosed
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US disclosed
CN-1152675-C IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-09 CN disclosed
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
EP-0957907-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0948330-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0957907-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
CN-1232398-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
EP-0948330-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-13 EP disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed
WO-1998005317-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 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 (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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT TRPV4 2498/4885ALDH1A1 466/4885HPGD 33/4885

“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.