SCHEMBL991829

SCHEMBL991829

CCCCOCCOc1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.54
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
LTA4H P09960 4/20 0.47
RARA P10276 1/20 0.47
NR5A1 Q13285 1/20 0.46
CYP2D6 P10635 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL991126 0.94 NR5A1 (0.52) RARBCYP3A4TSHRMEN1USP2
SCHEMBL991315 0.93 NR5A1 (0.51) RARBCYP3A4TSHRMEN1USP2
SCHEMBL7276161 0.93 NR5A1 (0.55) RARBCYP3A4TSHRMEN1USP2
SCHEMBL7861362 0.93 NR5A1 (0.55) RARBCYP3A4TSHRMEN1USP2
SCHEMBL49992 0.90 LTA4H (0.55) CYP3A4TSHRSMN1; SMN2LTA4HNR5A1
SCHEMBL7928494 0.89 LMNA (0.41) RARBCYP3A4TSHRMEN1USP2
SCHEMBL27649786 0.88 LTA4H (0.53) CYP3A4TSHRSMN1; SMN2LTA4HNR5A1
SCHEMBL28106770 0.88 LTA4H (0.53) CYP3A4TSHRSMN1; SMN2LTA4HNR5A1
SCHEMBL10629620 0.88 RARB (0.64) RARBCYP3A4TSHRMEN1USP2
SCHEMBL10618259 0.87 RARB (0.57) RARBCYP3A4TSHRMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 US disclosed
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 disclosed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US disclosed
EP-3119401-A2 CENICRIVIROC FOR THE TREATMENT OF FIBROSIS Tobira Therapeutics, Inc. (US) 2017-01-25 EP disclosed
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-14 US disclosed
WO-2015143367-A2 CENICRIVIROC FOR THE TREATMENT OF FIBROSIS TOBIRA THERAPEUTICS, INC. (US) 2015-09-24 WO disclosed
US-9112081-B2 Sealing film for solar cell and solar cell obtained by use of the sealing film BRIDGESTONE CORPORATION (JP) 2015-08-18 US disclosed
US-8741943-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2014-06-03 US disclosed
EP-1889839-B1 Bicyclic compound, production and use as HIV inhibitors TOBIRA THERAPEUTICS INC (US) 2013-11-06 EP disclosed
US-5472992-A For printing inks, surface coatings, photoresists CIBA-GEIGY CORPORATION (US) 1995-12-05 US disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5399770-A Photoinitiator, preparation of printing plates, curing white paints CIBA-GEIGY CORPORATION (US) 1995-03-21 US disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
EP-0190444-B1 OPTICAL-RECORDING MEDIUM BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0190444-A1 Optical-recording medium BASF Aktiengesellschaft (DE) 1986-08-13 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 (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-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 RARB 1673/4885CYP3A4 544/4885TSHR 2428/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 RARB 1676/4885CYP3A4 547/4885TSHR 2421/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 RARB 1676/4885CYP3A4 547/4885TSHR 2421/4885

“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.