SCHEMBL2149504

SCHEMBL2149504

CCC(C)C(N)C(O)(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
PTGS2 P35354 3/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNFRSF1A P19438 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL2150493 0.85 PTGS2 (0.36) DHFRPTGS2TSHRALDH1A1TDP1
SCHEMBL2150229 0.85 PTGS2 (0.36) DHFRPTGS2TSHRALDH1A1TDP1
SCHEMBL2149375 0.84 RXRA (0.38) CYP3A4RARGRXRAPPARG
SCHEMBL2150017 0.84 DHFR (0.35) DHFRPTGS2TSHRALDH1A1TDP1
SCHEMBL2150167 0.82 RXRA (0.36) RXRAPPARG
SCHEMBL2235329 0.82 PTGS2 (0.37) DHFRPTGS2TSHRALDH1A1TDP1
SCHEMBL2163989 0.82 PTGS2 (0.37) DHFRPTGS2TSHRALDH1A1TDP1
SCHEMBL2150178 0.80 GABRA1 (0.38) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2232253 0.80 GABRA1 (0.38) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2150552 0.78 DHFR (0.34) DHFRPTGS2TNFRSF1ACA1CA2

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 DHFR 286/4885PTGS2 631/4885TSHR 878/4885

“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.