SCHEMBL13596050

SCHEMBL13596050

COc1ccc(COC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAOB P27338 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ESR2 Q92731 1/20 0.54
POLB P06746 1/20 0.53
NR4A2 P43354 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FFAR1 O14842 1/20 0.52
CA1 P00915 1/20 0.51

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
SCHEMBL16689961 0.92 KMT2A (0.67) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL1129093 0.87 MEN1 (0.77) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL27881866 0.86 MAPT (0.60) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL16704815 0.86 MAPT (0.60) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL10636593 0.86 NPC1 (0.71) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL7427853 0.84 MAPT (0.58) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL14129580 0.84 NPC1 (0.58) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL14852921 0.84 LOXL2 (0.60) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL7399657 0.84 NPC1 (0.69) KMT2ANPC1SMN1; SMN2RAB9AMAPT
SCHEMBL27882017 0.84 MAPT (0.67) KMT2ANPC1SMN1; SMN2RAB9AMAPT

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-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-12-24 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-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR S1PR1, S1PR3, S1PR5 KMT2A 4307/4885NPC1 1484/4885SMN1; SMN2 1622/4885

“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.