SCHEMBL16340482

SCHEMBL16340482

COC(=O)C1(C)CC(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 8/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 3/20 0.33
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 4/20 0.32
HPGD P15428 3/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 2/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
KLK7 P49862 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
SCHEMBL16335305 0.81 CYP1A1 (0.39) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL16340262 0.80 ALDH1A1 (0.47) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL19464531 0.78 KDM4E (0.34) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL19464540 0.78 CYP1A1 (0.37) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL16339662 0.77 KDM4E (0.39) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL17762891 0.76 CYP1A1 (0.35) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL17762896 0.76 KDM4E (0.32) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL16340064 0.76 KDM4E (0.50) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL17746848 0.75 KDM4E (0.30) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL17746832 0.73 CYP1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 US disclosed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 US disclosed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 EP disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 WO disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 WO 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 KDM4E 3112/4885ALDH1A1 2782/4885NPC1 921/4885

“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.