SCHEMBL2232682

SCHEMBL2232682

CC1(C)C(COC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)C1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
CHRM3 P20309 6/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CHRM2 P08172 5/20 0.33
CHRM1 P11229 5/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
SCN1A P35498 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
SCHEMBL6408280 0.79 SLC6A1 (0.38) KCNN4CYP2C19TSHRMEN1KMT2A
SCHEMBL1150260 0.78 LMNA (0.47) CYP2C19CYP1A2TSHRKMT2AHIF1A
SCHEMBL1685675 0.77 PRKCA (0.33)
SCHEMBL2231483 0.75 ALDH1A1 (0.50) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL28294895 0.73 KCNN4 (0.47) KCNN4CHRM3CHRM2CHRM1CHRM4
SCHEMBL6408329 0.72 SLC6A11 (0.47) CYP1A2MEN1KMT2ACYP3A4
SCHEMBL3690693 0.72 TSHR (0.42) TSHRKMT2AALDH1A1LMNAMAPK1
SCHEMBL6521289 0.72 TSHR (0.42) TSHRKMT2AALDH1A1LMNAMAPK1
SCHEMBL1154270 0.72 TSHR (0.42) TSHRKMT2AALDH1A1LMNAMAPK1
SCHEMBL11312924 0.72 TSHR (0.42) TSHRKMT2AALDH1A1LMNAMAPK1

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 KCNN4 4156/4885CHRM3 2643/4885CYP2C19 665/4885

“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.