SCHEMBL2963101

SCHEMBL2963101

OC(c1cc2ccccc2s1)c1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.50
CYP1A2 P05177 2/20 0.50
PTGES O14684 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ALOX5AP P20292 1/20 0.50
LOX P28300 1/20 0.50
EPHX2 P34913 1/20 0.50
PTGS2 P35354 1/20 0.50
LTB4R Q15722 1/20 0.50
CYP2A6 P11509 1/20 0.48
MGLL Q99685 1/20 0.48
BCL2L1 Q07817 1/20 0.47
APP P05067 1/20 0.44

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
SCHEMBL477483 0.88 HPGD (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8306477 0.86 ALOX5 (0.41) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8363417 0.86 TOP2A (0.43) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444769 0.83 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL19880957 0.83 MGLL (0.50) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL6956984 0.82 OPRM1 (0.43) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9824749 0.80 ALOX5 (0.53) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL28235218 0.80 ALOX5 (0.45) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL5249302 0.80 CYP2A6 (0.52) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL6969326 0.80 ALOX5 (0.43) ALOX5CYP1A2PTGESLMNALTA4H

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-5541200-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1996-07-30 US claimed
CN-108383739-B Aromatic amine with hydroxyl, alpha-diimine compound and application thereof in olefin polymerization 河北工业大学 2020-12-08 CN disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALOX5 1535/4885CYP1A2 484/4885PTGES 2947/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALOX5 1535/4885CYP1A2 484/4885PTGES 2947/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALOX5 1535/4885CYP1A2 484/4885PTGES 2947/4885

“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.