SCHEMBL2232073

SCHEMBL2232073

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.40
PPARG P37231 3/20 0.40
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
RARG P13631 1/20 0.34
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
REN P00797 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TLR4 O00206 3/20 0.32
CD14 P08571 3/20 0.32
LY96 Q9Y6Y9 3/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 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
SCHEMBL2235395 1.00 RXRA (0.40) RXRAPPARGCYP3A4CYP2D6RARG
SCHEMBL2232312 0.94 RXRA (0.38) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2149388 0.89 RXRA (0.39) RXRAPPARGCYP3A4CYP2D6RARG
SCHEMBL2166401 0.87 RXRA (0.39) RXRAPPARGCYP3A4CYP2D6RARG
SCHEMBL2150165 0.87 LNPEP (0.38) RXRAPPARGCYP3A4CYP2D6RARG
SCHEMBL2149375 0.87 RXRA (0.38) RXRAPPARGCYP3A4CYP2D6RARG
SCHEMBL2149457 0.84 RXRA (0.37) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2235018 0.82 RXRA (0.37) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2150167 0.82 RXRA (0.36) RXRAPPARGRXRBRXRGTHRA
SCHEMBL2149343 0.82 LNPEP (0.43) RXRAPPARGRXRBRXRGTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1483/4885CYP3A4 805/4885

“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.