SCHEMBL2232253

SCHEMBL2232253

CC[C@H](C)[C@H](N)C(O)(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HMGCR P04035 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
POLB P06746 1/20 0.31
RORC P51449 1/20 0.31
DPP7 Q9UHL4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL2150178 1.00 GABRA1 (0.38) GABRA1GABRB2HMGCRCYP2C19CYP1A2
SCHEMBL2232216 0.81 GABRA1 (0.43) GABRA1GABRB2HMGCRHTR1DHTR1B
SCHEMBL2149404 0.81 GABRA1 (0.43) GABRA1GABRB2HMGCRHTR1DHTR1B
SCHEMBL2149504 0.80 DHFR (0.33) CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2150025 0.79 GABRA1 (0.41) GABRA1GABRB2HMGCRCYP2C19CYP1A2
SCHEMBL2149363 0.79 GABRA1 (0.41) GABRA1GABRB2HMGCRCYP2C19CYP1A2
SCHEMBL2149558 0.77 GABRA1 (0.46) GABRA1GABRB2HMGCRCYP2C19HTR1D
SCHEMBL2149565 0.77 GABRA1 (0.46) GABRA1GABRB2HMGCRCYP2C19HTR1D
SCHEMBL5872470 0.76 CYP2D6 (0.47) CYP2C19CYP1A2DPP7KDM4E
SCHEMBL5872314 0.76 CYP2D6 (0.47) CYP2C19CYP1A2DPP7KDM4E

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 GABRA1 346/4885GABRB2 566/4885HMGCR 214/4885

“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.