SCHEMBL2149388

SCHEMBL2149388

CCCCOc1c(C(C)(C)C)cc(C(O)(c2cc(C(C)(C)C)c(OCCCC)c(C(C)(C)C)c2)C(N)C(C)C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.39
PPARG P37231 3/20 0.39
REN P00797 1/20 0.33
RARG P13631 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NR5A2 O00482 1/20 0.30

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
SCHEMBL2149457 0.95 RXRA (0.37) RXRAPPARGRXRBRXRGESR1
SCHEMBL2149375 0.90 RXRA (0.38) RXRAPPARGRENRARGCYP3A4
SCHEMBL2235395 0.89 RXRA (0.40) RXRAPPARGRENRARGCYP3A4
SCHEMBL2232073 0.89 RXRA (0.40) RXRAPPARGRENRARGCYP3A4
SCHEMBL2166401 0.85 RXRA (0.39) RXRAPPARGRENRARGCYP3A4
SCHEMBL2150167 0.85 RXRA (0.36) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2150165 0.84 LNPEP (0.38) RXRAPPARGRENRARGCYP3A4
SCHEMBL2232312 0.84 RXRA (0.38) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2235018 0.80 RXRA (0.37) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2150493 0.80 PTGS2 (0.36) RXRAPPARGRARGCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341042-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-20 EP disclosed
US-8680328-B2 Method for producing optically active cyclopropane carboxylic acid ester compound, asymmetric copper complex, and optically active salicylideneaminoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-25 US disclosed
US-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
EP-2341042-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-06 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 (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-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND ALDH18A1, ALDH3A1, DECR1 RXRA 734/4885PPARG 1483/4885REN 539/4885

“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.