SCHEMBL3884966

SCHEMBL3884966

OCCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.80
▸ CALM1 P0DP23 1/20 0.60
▸ CA2 P00918 2/20 0.54
▸ IDH1 O75874 1/20 0.50
▸ PLA2G10 O15496 1/20 0.48
▸ PLA2G2A P14555 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SLC22A2 O15244 1/20 0.47
▸ LTA4H P09960 3/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP4F2 P78329 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
SCHEMBL17996039 0.90 TDP1 (0.89) TDP1CA2TSHRLTA4HFFAR1
Phenylethyl Alcohol SCHEMBL28820852 0.89 TDP1 (1.00) TDP1CALM1CA2TSHRFFAR1
Phenylethyl Alcohol SCHEMBL27927126 0.89 TDP1 (1.00) TDP1CALM1CA2TSHRFFAR1
Phenylethyl Alcohol SCHEMBL1867158 0.89 TDP1 (1.00) TDP1CALM1CA2TSHRFFAR1
Phenylethyl Alcohol SCHEMBL11450063 0.89 TDP1 (1.00) TDP1CALM1CA2TSHRFFAR1
Phenylethyl Alcohol SCHEMBL8968173 0.89 TDP1 (1.00) TDP1CALM1CA2TSHRFFAR1
Phenylethyl Alcohol SCHEMBL1838 0.89 — —
SCHEMBL7719756 0.89 CA2 (0.65) TDP1CALM1CA2TSHRALDH1A1
Phenylethyl Alcohol SCHEMBL10363032 0.87 TDP1 (0.94) TDP1CA2TSHRFFAR1MAOA
Phenylethyl Alcohol SCHEMBL5967453 0.87 TDP1 (0.94) TDP1CA2TSHRLTA4HFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 — — US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 — — EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 — — US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 — — EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 — — WO disclosed
US-4819057-A METAL-ORGANIC FILMS-SEMICONDUCTOR JUNCTION KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-04 — — US disclosed
EP-0218422-A2 Semiconductor light-emitting element KABUSHIKI KAISHA TOSHIBA (JP) 1987-04-15 — — 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 (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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 TDP1 1643/4885CALM1 2651/4885CA2 3355/4885

“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.

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