SCHEMBL203395

SCHEMBL203395

O=Cc1cc(Br)ccc1-c1ccc(Br)cc1C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.61
CYP2A6 P11509 3/20 0.47
S100A4 P26447 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRC P08575 1/20 0.40
CA9 Q16790 2/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
PIM3 Q86V86 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16050049 0.86 ERN1 (0.48) ERN1CYP2A6S100A4PTGDR2ALDH1A1
SCHEMBL1985834 0.83 ERN1 (0.50) ERN1CYP2A6S100A4PTGDR2ALDH1A1
SCHEMBL17426244 0.83 ERN1 (0.56) ERN1PTGDR2ALDH1A1LMNATDP1
SCHEMBL405754 0.83 ALDH1A1 (0.47) ERN1CYP2A6S100A4PTGDR2ALDH1A1
SCHEMBL3040456 0.82 ERN1 (0.64) ERN1CYP2A6PTGDR2ALDH1A1PTPN1
SCHEMBL26647840 0.80 XDH (0.49) ERN1CYP2A6S100A4PTGDR2MCL1
SCHEMBL414267 0.80 ERN1 (0.61) ERN1CYP2A6S100A4PTGDR2ALDH1A1
SCHEMBL16765589 0.78 ERN1 (0.59) ERN1CYP2A6S100A4PTGDR2ALDH1A1
SCHEMBL23861136 0.78 ERN1 (0.49) ERN1S100A4ALDH1A1MEN1LMNA
SCHEMBL28032764 0.78 ERN1 (0.44) ERN1CYP2A6S100A4PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP 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-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-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-20160013429-A1 ORGANIC THIN FILM TRANSISTOR FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-1717258-B1 DIHALIDE, POLYMER COMPOUND AND METHOD FOR PRODUCING SAME TOKYO INST TECH (JP) 2011-10-19 EP 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
US-7462683-B2 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-12-09 US disclosed
US-7462683-B2 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-12-09 US disclosed
US-20070185306-A1 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2007-08-09 US disclosed
US-20070185306-A1 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2007-08-09 US disclosed
EP-1717258-A1 DIHALIDE, POLYMER COMPOUND AND METHOD FOR PRODUCING SAME Tokyo Institute of Technology (JP) 2006-11-02 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 (4 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-20070185306-A1 Dihalide, polymer compound and method for producing the same HSPA4L, HDHD5, MRPL21 ERN1 1646/4885CYP2A6 926/4885S100A4 2960/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ERN1 147/4885CYP2A6 2659/4885S100A4 2797/4885
US-20160013429-A1 ORGANIC THIN FILM TRANSISTOR SCN8A, SLC8A1, NTRK1 ERN1 3099/4885CYP2A6 3398/4885S100A4 718/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ERN1 147/4885CYP2A6 2659/4885S100A4 2797/4885

“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.