SCHEMBL5344407

SCHEMBL5344407

CCC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.58
NR5A1 Q13285 1/20 0.58
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALOX5 P09917 3/20 0.39
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5346040 0.84 NR5A2 (0.64) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL5335689 0.83 NR5A2 (0.63) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL12477516 0.82 NR5A2 (0.54) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL12477683 0.82 NR5A2 (0.54) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL29670054 0.82 NR5A2 (0.56) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL30861606 0.82 NR5A2 (0.56) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28742131 0.82 NR5A2 (0.56) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL27195660 0.82 NR5A2 (0.56) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28378284 0.81 LMNA (0.45) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28755857 0.81 LMNA (0.41) NR5A2NR5A1CYP1A2CYP3A4CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471264-B 5, 5-disubstituted-2-imino pyrrolidine derivative, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2014-04-02 CN disclosed
CN-102471264-A 5, 5-disubstituted-2-imino pyrrolidine derivative, preparation method and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2012-05-23 CN disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 US disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
CN-88100518-A 3-phenyl-7H-the thiazole that replaces also [3,2-b] [1,2,4] triazine-7-ketone, the method for preparing them contains their medicament and application and some intermediate of relating in such compound 1988-08-10 CN 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 (1 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 NR5A2 3574/4885NR5A1 1517/4885CYP1A2 452/4885

“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.