SCHEMBL694482

SCHEMBL694482

COC(=O)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA12 O43570 5/20 0.56
CA9 Q16790 5/20 0.56
CA14 Q9ULX7 5/20 0.56
TDP1 Q9NUW8 1/20 0.55
CA7 P43166 1/20 0.55
TSHR P16473 1/20 0.52
PTPN1 P18031 1/20 0.51
ERN1 O75460 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
EGFR P00533 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.89 CA1 (0.67) CA1CA2CA12CA9CA14
Water SCHEMBL28104110 0.87 TSHR (0.60) CA1CA2CA12CA9CA14
SCHEMBL19833 0.87 TSHR (0.60) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.87 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.87 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL22579207 0.87 PTPN1 (0.73) TSHRPTPN1ALDH1A1MAPTKDM4E
Water SCHEMBL22720573 0.82 CA1 (0.76) CA1CA2CA12CA9CA14
SCHEMBL16749645 0.81 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL10009170 0.81 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL27589486 0.81 TSHR (0.64) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
CN-102459228-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
CN-102459228-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed
US-4523205-A COLORLESS BASIC DYE AND DEVELOPER KANZAKI PAPER MFG. CO., LTD. (JP) 1985-06-11 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 (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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CA1 612/4885CA2 561/4885CA12 1276/4885
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CA1 4624/4885CA2 2746/4885CA12 4272/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CA1 4624/4885CA2 2746/4885CA12 4272/4885

“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.