SCHEMBL15970972

SCHEMBL15970972

COC(=O)n1c(C)cc2cccc(OC)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
CCR2 P41597 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
RECQL P46063 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL15971081 0.86 KDM4E (0.44) KDM4EMAPTGAAKMT2ASMN1; SMN2
SCHEMBL15431762 0.86 BACE1 (0.43) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL15970799 0.82 NPC1 (0.38) KDM4EMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL15970753 0.78 NOTUM (0.39) KDM4EMAPTGAASMN1; SMN2RAB9A
SCHEMBL18000352 0.74 NQO2 (0.50) KDM4EMAPTGAAKMT2ARAB9A
SCHEMBL24136199 0.72 HTR2A (0.43) KDM4EMAPTGAAKMT2ASMN1; SMN2
SCHEMBL21335586 0.71 CCR2 (0.43) KDM4EMAPTGAAKMT2AMAPK1
SCHEMBL9354562 0.71 CA12 (0.44) KDM4EMAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL18567358 0.71 BACE1 (0.44) KDM4EKMT2AALDH1A1HPGDLMNA
SCHEMBL30211234 0.70 NQO2 (0.43) KDM4EMAPTGAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 KDM4E 2290/4885MAPT 3430/4885GAA 3375/4885

“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.