SCHEMBL4180971

SCHEMBL4180971

O[CH]Cc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2A6 P11509 1/20 0.54
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALOX5 P09917 1/20 0.44
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.43
PDPK1 O15530 1/20 0.42
RAB9A P51151 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
SCHEMBL27513684 0.83 CYP1A2 (0.50) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL27536056 0.83 CYP1A2 (0.50) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL720558 0.80 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29955760 0.80 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL7269786 0.78 CYP2A6 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6645031 0.78 CYP2A6 (0.54) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL1286312 0.78 CYP1A2 (0.54) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL31195248 0.78 CYP1A2 (0.54) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL27574170 0.78 CYP1A2 (0.54) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL10721028 0.78 CYP1A2 (0.54) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 24/4885CYP2A6 108/4885HTR2A 666/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885CYP2A6 94/4885HTR2A 641/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 CYP1A2 22/4885CYP2A6 90/4885HTR2A 537/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885CYP2A6 94/4885HTR2A 641/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885CYP2A6 94/4885HTR2A 641/4885

“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.