SCHEMBL204112

SCHEMBL204112

COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2I)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
XDH P47989 1/20 0.55
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
PTPRC P08575 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL204113 0.93 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL17656285 0.91 HCRTR1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL28340583 0.89 EGFR (0.56) CA1CA2CA12CA7CA9
SCHEMBL21544796 0.86 NPC1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL550572 0.86 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL490266 0.82 KDM4E (0.62) CA1CA2CA12CA7CA9
SCHEMBL1232173 0.82 TDP1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL944597 0.82 CA1 (0.69) CA1CA2CA12CA7CA9
SCHEMBL30010685 0.82 TDP1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL2313965 0.82 CA1 (0.49) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483333-A A kind of preparation method for the polycarboxylic acid organic ligand that dicyanogen methyl isophorone replaces UNIV TONGJI 2019-11-22 CN claimed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
CN-110483333-A A kind of preparation method for the polycarboxylic acid organic ligand that dicyanogen methyl isophorone replaces UNIV TONGJI 2019-11-22 CN disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
EP-1333050-B1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO (JP) 2006-12-27 EP disclosed
US-7049371-B2 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2006-05-23 US disclosed
US-20040002572-A1 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2004-01-01 US disclosed
EP-1333050-A1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2003-08-06 EP disclosed
EP-1327653-A1 HEAT-RESISTANT RESIN PRECURSOR, HEAT-RESISTANT RESIN AND INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2003-07-16 EP disclosed
US-6518390-B2 Polybenzoxazole and crosslinking agent SUMITOMO BAKELITE COMPANY, LTD. (JP) 2003-02-11 US disclosed
US-20020013443-A1 Precursor of a heat resistant resin, heat resistant resin, insulating film and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2002-01-31 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 (2 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885

“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.