SCHEMBL19786285

SCHEMBL19786285

COc1ccc2c(c1)C1(C)CCCC(COC(C)=O)C1CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
POLA1 P09884 4/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 2/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SLC22A1 O15245 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL19786284 0.83 POLA1 (0.53) POLA1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL19770998 0.78 CYP3A4 (0.47) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL19786218 0.71 POLA1 (0.36) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL19786280 0.67 CYP3A4 (0.61) POLA1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL19770995 0.65 CYP3A4 (0.72) POLA1CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL12827353 0.64 OPRD1 (0.46) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL16499555 0.64 OPRD1 (0.46) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL12825563 0.64 OPRD1 (0.46) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL16499412 0.64 OPRD1 (0.46) OPRD1POLA1CYP3A4TSHRCYP2C9
SCHEMBL388758 0.64 PGR (0.53) ALDH1A1KDM4ELMNAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES BUCK INST RES AGING (US) 2018-01-18 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-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES TRPA1, TRPV1, TRPM2 OPRD1 410/4885POLA1 3859/4885CYP3A4 1475/4885

“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.