SCHEMBL6516509

SCHEMBL6516509

CCCCOCCOc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.57
▸ TSHR P16473 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ LTA4H P09960 3/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ RARA P10276 1/20 0.49
▸ NR5A1 Q13285 1/20 0.48

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
SCHEMBL7929523 0.96 NR5A1 (0.55) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL7930618 0.94 NR5A1 (0.58) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL10629620 0.92 RARB (0.64) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL916469 0.92 LTA4H (0.57) TSHRMAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL25575422 0.90 KDM4E (0.50) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL7922047 0.90 MAPT (0.49) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL7254241 0.90 MAPT (0.51) RARBTSHRMAPK1ALDH1A1CYP3A4
SCHEMBL11578764 0.90 LTA4H (0.55) TSHRMAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31000372 0.90 LTA4H (0.55) TSHRMAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL917938 0.88 NR5A1 (0.62) TSHRLMNALTA4HDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112266392-A Process for preparing CENICRIVIROC and related analogs 妥必徕疗治公司 2021-01-26 — — CN claimed
EP-3237424-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS Tobira Therapeutics, Inc. (US) 2017-11-01 — — EP claimed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 — — WO claimed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 — — US disclosed
US-11839155-B2 Organic semiconducting compounds RAYNERGY TEK INC. (TW) 2023-12-05 — — US disclosed
CN-112236882-B Organic semiconductor compound 天光材料科技股份有限公司 2023-06-30 — — CN disclosed
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2021-06-10 — — US disclosed
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2021-06-10 — — US disclosed
CN-112266392-A Process for preparing CENICRIVIROC and related analogs 妥必徕疗治公司 2021-01-26 — — CN disclosed
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 — — US disclosed
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 — — US disclosed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 — — WO disclosed
EP-2818531-A1 Polymerisable compounds and the use thereof in liquid-crystal displays Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
US-20050107606-A1 Process for producing optically active sulfoxide derivative TATKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 — — US disclosed
EP-1484322-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2004-12-08 — — EP disclosed
EP-1211239-A1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDROAZEPINE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 — — EP disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 — — EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 — — US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 — — 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 (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-11839155-B2 Organic semiconducting compounds OCIAD2, OCIAD1, OSTC RARB 1800/4885TSHR 4717/4885MAPK1 2031/4885
US-20050107606-A1 Process for producing optically active sulfoxide derivative CCR5, OPRM1, CXCR4 RARB 274/4885TSHR 1153/4885MAPK1 650/4885
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 RARB 2241/4885TSHR 3282/4885MAPK1 106/4885
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 RARB 3053/4885TSHR 4134/4885MAPK1 402/4885

“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.

Send feedback