SCHEMBL197427

SCHEMBL197427

CCCCOCCOc1ccc(-c2ccc(OCCOCCCC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.73
CYP2D6 P10635 7/20 0.63
CYP3A4 P08684 5/20 0.63
RARA P10276 1/20 0.61
CYP19A1 P11511 6/20 0.58
CYP2C9 P11712 6/20 0.58
CYP2C19 P33261 6/20 0.58
CYP1A2 P05177 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
KMT2A Q03164 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
TSHR P16473 1/20 0.54
LTA4H P09960 1/20 0.52

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
SCHEMBL10629620 0.94 RARB (0.64) RARBCYP2D6CYP3A4RARASMN1; SMN2
SCHEMBL6937465 0.91 RARB (0.68) RARBCYP2D6CYP3A4RARACYP19A1
SCHEMBL11224087 0.91 TSHR (0.68) RARBCYP2D6CYP3A4RARACYP19A1
SCHEMBL9151170 0.89 CYP2D6 (0.76) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL5583851 0.89 CYP2D6 (0.76) RARBCYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL11121389 0.88 RARB (0.60) RARBCYP2D6CYP3A4RARASMN1; SMN2
SCHEMBL6939767 0.87 NR5A1 (0.75) RARBCYP2D6CYP3A4RARASMN1; SMN2
SCHEMBL2484430 0.86 LTA4H (0.71) RARBCYP2D6CYP3A4RARACYP19A1
SCHEMBL6558279 0.86 LTA4H (0.71) RARBCYP2D6CYP3A4RARACYP19A1
SCHEMBL15996488 0.86 RARB (0.57) RARBCYP3A4RARASMN1; SMN2MEN1

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
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS, INC. (US) 2019-09-10 US claimed
CN-109862890-A Purifying CENICRIVIROC and the purifying intermediate for being used to prepare CENICRIVIROC 妥必徕疗治公司 2019-06-07 CN claimed
EP-3471718-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC Tobira Therapeutics, Inc. (US) 2019-04-24 EP claimed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US claimed
WO-2017223155-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS, INC. (US) 2017-12-28 WO claimed
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US 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-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2021-06-10 US disclosed
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 US disclosed
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2020-03-26 US disclosed
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS, INC. (US) 2019-09-10 US disclosed
EP-3471718-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC Tobira Therapeutics, Inc. (US) 2019-04-24 EP disclosed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 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 (9 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-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 RARB 2241/4885CYP2D6 2426/4885CYP3A4 1009/4885
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 RARB 2241/4885CYP2D6 2426/4885CYP3A4 1009/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 RARB 2433/4885CYP2D6 543/4885CYP3A4 61/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 RARB 2291/4885CYP2D6 209/4885CYP3A4 135/4885
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC CCR5, CCR2, CXCR3 RARB 3053/4885CYP2D6 1772/4885CYP3A4 598/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR RARB 1288/4885CYP2D6 2074/4885CYP3A4 956/4885
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 RARB 3053/4885CYP2D6 1772/4885CYP3A4 598/4885
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 RARB 3053/4885CYP2D6 1772/4885CYP3A4 598/4885
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 RARB 3053/4885CYP2D6 1772/4885CYP3A4 598/4885

“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.