SCHEMBL16340262

SCHEMBL16340262

Cc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)OC(C)(C)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPT P10636 1/20 0.47
PDE4B Q07343 1/20 0.42
MAOB P27338 10/20 0.40
GAA P10253 5/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 3/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16339662 0.85 KDM4E (0.39) ALDH1A1KDM4EMAPTPDE4BHPGD
SCHEMBL17762891 0.84 CYP1A1 (0.35) ALDH1A1KDM4EMAPTPDE4BMAOB
SCHEMBL17762896 0.84 KDM4E (0.32) ALDH1A1KDM4EMAPTPDE4BMAOB
SCHEMBL16340064 0.84 KDM4E (0.50) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL16339675 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTPDE4BMAOB
SCHEMBL19464531 0.83 KDM4E (0.34) ALDH1A1KDM4EMAPTPDE4BMAOB
SCHEMBL19464540 0.83 CYP1A1 (0.37) ALDH1A1KDM4EMAPTPDE4BMAOB
SCHEMBL16340482 0.80 KDM4E (0.34) ALDH1A1KDM4EMAPTPDE4BGAA
SCHEMBL7828336 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL17746848 0.76 KDM4E (0.30) ALDH1A1KDM4ENPC1MAPK1RAB9A

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 8 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
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 ALDH1A1 2782/4885KDM4E 3112/4885MAPT 2512/4885

“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.