SCHEMBL205659

SCHEMBL205659

COc1cc(CBr)c(-c2c(CBr)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTR2A P28223 1/20 0.41
APLNR P35414 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ELANE P08246 1/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 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
SCHEMBL9377735 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4HTR2AAPLNR
SCHEMBL3397380 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4HTR2AAPLNR
SCHEMBL205231 0.81 PDE4A (0.52) CYP1A2ALDH1A1CYP3A4APLNRCA12
SCHEMBL16071799 0.80 CYP1A2 (0.43) CYP1A2ALDH1A1CYP3A4HTR2AAPLNR
SCHEMBL31719057 0.80 CYP1A2 (0.43) CYP1A2ALDH1A1CYP3A4HTR2AAPLNR
SCHEMBL17323227 0.80 CYP1A2 (0.43) CYP1A2ALDH1A1HTR2AAPLNRCA12
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) CYP1A2ALDH1A1CYP3A4CA12CA1
SCHEMBL12795790 0.76 CYP1A2 (0.46) CYP1A2ALDH1A1CYP3A4HTR2AIDO1
SCHEMBL6827911 0.76 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP3A4HTR2ACA2
SCHEMBL1264360 0.75 HTR2A (0.62) ALDH1A1HTR2AAPLNRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 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-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO 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
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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
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

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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885ALDH1A1 3957/4885CYP3A4 1770/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885ALDH1A1 3957/4885CYP3A4 1770/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885ALDH1A1 3957/4885CYP3A4 1770/4885

“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.