SCHEMBL205164

SCHEMBL205164

COC(=O)c1ccc2c(c1)COc1cc(Br)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.52
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.40

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
SCHEMBL205863 0.84 ROCK2 (0.52) ROCK2MAPK14KDM4EALDH1A1GLA
SCHEMBL24502972 0.84 KDM4E (0.52) ROCK2MAPK14KDM4EALDH1A1GAA
SCHEMBL751196 0.84 KDM4E (0.57) ROCK2MAPK14KDM4EALDH1A1GLA
SCHEMBL205466 0.83 SRD5A2 (0.63) ROCK2SRD5A1SRD5A2ALDH1A1MAPK1
SCHEMBL30529024 0.82 ROCK2 (0.55) ROCK2MAPK14KDM4EALDH1A1GLA
SCHEMBL20788479 0.82 ROCK2 (0.55) ROCK2MAPK14KDM4EALDH1A1GLA
SCHEMBL24503081 0.82 KDM4E (0.52) ROCK2KDM4EALDH1A1GAA
SCHEMBL38657847 0.82 ROCK2 (0.52) ROCK2MAPK14KDM4EALDH1A1GLA
SCHEMBL16377303 0.80 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL205835 0.80 ROCK2 (0.48) ROCK2HPGD

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 40 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-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-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
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885SRD5A1 3125/4885SRD5A2 3511/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885SRD5A1 3125/4885SRD5A2 3511/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885SRD5A1 3125/4885SRD5A2 3511/4885

“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.