SCHEMBL4015451

SCHEMBL4015451

Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd+2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ACHE P22303 3/20 0.50
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ESR1 P03372 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30367230 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL5908722 0.97 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL30217238 0.97 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL105623 0.97 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL4480 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL3127305 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL29357701 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL2857411 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Bromide SCHEMBL3688252 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL2502467 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US disclosed
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US disclosed
EP-3237424-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS Tobira Therapeutics, Inc. (US) 2017-11-01 EP disclosed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 WO disclosed
US-8242235-B2 Purification process of electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2012-08-14 US disclosed
US-7507351-B2 Method for purifying electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2009-03-24 US disclosed
US-20070159069-A1 Purification process for organic electronics material RESONAC CORPORATION (JP) 2007-07-12 US disclosed
US-20060247474-A1 Method for purifying electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2006-11-02 US disclosed
US-20020172652-A1 Composition for film formation and material for insulating film formation JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-0745073-B1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX INC (US) 2000-07-12 EP disclosed
EP-0745072-B1 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID SYNTEX INC (US) 1998-05-06 EP disclosed
US-5633279-A 5-substituted derivatives of mycophenolic acid SYNTEX (U.S.A.) INC. (US) 1997-05-27 US disclosed
US-5538969-A IMMUNOSUPPRESSANTS SYNTEX (U.S.A.) INC. (US) 1996-07-23 US disclosed
US-5536747-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-07-16 US disclosed
US-5525602-A TREATING INFLAMMATORY DISEASES, PREVENTING ALLOGRAFT REJECTION, AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1996-06-11 US disclosed
US-5493030-A CHEMICAL INTERMEDIATES SYNTEX (U.S.A.) INC. (US) 1996-02-20 US 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 (8 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 TSHR 3282/4885ACHE 4678/4885ALDH1A1 4349/4885
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 TSHR 3282/4885ACHE 4678/4885ALDH1A1 4349/4885
US-20020172652-A1 Composition for film formation and material for insulating film formation VCL, BMI1, PUF60 TSHR 4810/4885ACHE 2387/4885ALDH1A1 2731/4885
US-20060247474-A1 Method for purifying electroluminescent material, electroluminescent material and electroluminescent device ITPA, ENTPD2, ALPL TSHR 4253/4885ACHE 332/4885ALDH1A1 2587/4885
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC CCR5, CCR2, CXCR3 TSHR 4134/4885ACHE 4652/4885ALDH1A1 3884/4885
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 TSHR 4134/4885ACHE 4652/4885ALDH1A1 3884/4885
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 TSHR 4134/4885ACHE 4652/4885ALDH1A1 3884/4885
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 TSHR 4134/4885ACHE 4652/4885ALDH1A1 3884/4885

“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.