SCHEMBL17762891

SCHEMBL17762891

CCC1(C)CC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)cc2O1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
AKT1 P31749 3/20 0.35
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PDE4B Q07343 1/20 0.31
MAOB P27338 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL19464540 0.89 CYP1A1 (0.37) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL17762898 0.88 CYP1A1 (0.35) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL17762896 0.88 KDM4E (0.32) AKT1KDM4EALDH1A1MAPTGAA
SCHEMBL16340262 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL19464531 0.81 KDM4E (0.34) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL17746832 0.81 CYP1A1 (0.35) CYP1A1AKT1
SCHEMBL16339662 0.81 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPDE4B
SCHEMBL16340064 0.80 KDM4E (0.50) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL19464530 0.78 CYP1A1 (0.36) CYP1A1AKT1KDM4EALDH1A1MAPT
SCHEMBL17762892 0.78 CYP1A1 (0.49) CYP1A1AKT1KDM4EALDH1A1MAPT

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.