SCHEMBL4757717

SCHEMBL4757717

Cc1ccc(OCCO)c(Br)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 13/20 0.59
KMT2A Q03164 4/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27750425 0.84 S1PR4 (0.60) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23600775 0.81 S1PR4 (0.57) S1PR4KMT2ATHRBNPC1RAB9A
SCHEMBL4036211 0.80 IDO1 (0.43) S1PR4KMT2ATHRBNPC1RAB9A
SCHEMBL20116703 0.79 S1PR4 (0.55) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14570557 0.79 S1PR4 (0.56) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2434511 0.79 S1PR4 (0.59) S1PR4KMT2ATHRBNPC1RAB9A
SCHEMBL21605978 0.79 S1PR4 (0.46) S1PR4KMT2ATHRBNPC1LMNA
SCHEMBL24424157 0.78 S1PR4 (0.55) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29585094 0.78 S1PR4 (0.55) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3710075 0.76 PTGDR2 (0.49) S1PR4SMN1; SMN2HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
WO-2012170931-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 WO disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 US disclosed
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 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 (4 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 S1PR4 602/4885KMT2A 4706/4885THRB 1606/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 S1PR4 602/4885KMT2A 4706/4885THRB 1606/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 S1PR4 602/4885KMT2A 4706/4885THRB 1606/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 S1PR4 602/4885KMT2A 4706/4885THRB 1606/4885

“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.