SCHEMBL2235329

SCHEMBL2235329

COc1c(C(C)(C)C)cc(C(O)(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)[C@H](C)N)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
TNFRSF1A P19438 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DHFR P00374 1/20 0.35
PTGS1 P23219 1/20 0.34
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL2163989 1.00 PTGS2 (0.37) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2150493 0.87 PTGS2 (0.36) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2150229 0.87 PTGS2 (0.36) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2150552 0.83 DHFR (0.34) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2150017 0.82 DHFR (0.35) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2149504 0.82 DHFR (0.33) PTGS2TNFRSF1ACA1CA2DHFR
SCHEMBL2232073 0.79 RXRA (0.40) RARGRXRAPPARGCYP3A4
SCHEMBL2235395 0.79 RXRA (0.40) RARGRXRAPPARGCYP3A4
SCHEMBL2232312 0.76 RXRA (0.38) RXRAPPARG
SCHEMBL2150000 0.75 LMNA (0.56) TNFRSF1ADHFRLMNACYP3A4ALDH1A1

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 PTGS2 631/4885TNFRSF1A 2501/4885CA1 328/4885

“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.