SCHEMBL17762897

SCHEMBL17762897

CCc1cc2c(cc1Br)OC(C)(CC)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
AKT1 P31749 2/20 0.38
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 6/20 0.35
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 2/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19464533 0.89 CYP1A1 (0.50) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL17762892 0.86 CYP1A1 (0.49) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL16335258 0.85 ALDH1A1 (0.50) CYP1A1KDM4EALDH1A1MAPTMAOB
SCHEMBL16335137 0.79 KDM4E (0.39) CYP1A1KDM4EALDH1A1HPGDATM
SCHEMBL16335175 0.79 KDM4E (0.51) CYP1A1KDM4EALDH1A1GAAHPGD
SCHEMBL17762898 0.78 CYP1A1 (0.35) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL19464539 0.73 CYP1A1 (0.51) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL11369382 0.72 KDM4E (0.68) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL10237805 0.71 CYP1A1 (0.49) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL31260293 0.70 ALDH1A1 (0.57) KDM4EALDH1A1MAPTMAOBSMN1; 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS ORAI1, RYR2, RYR1 CYP1A1 440/4885AKT1 1391/4885KDM4E 3112/4885

“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.