SCHEMBL6098897

SCHEMBL6098897

COc1ccc(-c2c(C)nn(-c3ccc(CCO)cc3)c2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE4D Q08499 1/20 0.48
PTGS2 P35354 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGS1 P23219 2/20 0.43
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.41
LMNA P02545 1/20 0.41
CFTR P13569 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
SCHEMBL6095421 0.88 CYP1A2 (0.50) CYP1A2POLBHPGDSMN1; SMN2PDE4D
SCHEMBL14439485 0.88 NPC1 (0.60) CYP1A2NPC1RAB9APOLBHPGD
SCHEMBL6097549 0.87 CYP1A2 (0.56) CYP1A2NPC1RAB9APOLBSMN1; SMN2
SCHEMBL6096492 0.85 CYP1A2 (0.54) CYP1A2SMN1; SMN2PTGS2CYP2D6OPRM1
SCHEMBL6096797 0.85 CYP1A2 (0.72) CYP1A2PTGS2CYP2D6
SCHEMBL6098356 0.85 CYP1A2 (0.54) CYP1A2NPC1RAB9APOLBHPGD
SCHEMBL6099027 0.84 SMN1; SMN2 (0.53) CYP1A2POLBSMN1; SMN2MAPTLMNA
SCHEMBL6098575 0.84 CYP1A2 (0.53) CYP1A2NPC1RAB9APOLBSMN1; SMN2
SCHEMBL1872553 0.83 NPC1 (0.56) CYP1A2NPC1RAB9APOLBHPGD
SCHEMBL6098401 0.79 CYP1A2 (0.48) CYP1A2NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR CYP1A2 670/4885NPC1 2334/4885RAB9A 3940/4885

“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.