SCHEMBL477500

SCHEMBL477500

Cn1cc(C(O)c2ccccc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
SRC P12931 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
APAF1 O14727 1/20 0.43

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
SCHEMBL28665373 0.83 BRD4 (0.48) IDO1MEN1KMT2APOLBNPC1
SCHEMBL27960948 0.82 MEN1 (0.59) IDO1MEN1KMT2APOLBNPC1
SCHEMBL27983751 0.81 MEN1 (0.56) IDO1MEN1KMT2APOLBNPC1
SCHEMBL16154384 0.81 MEN1 (0.60) IDO1MEN1KMT2APOLBNPC1
SCHEMBL21803776 0.79 IDO1 (0.65) IDO1MEN1KMT2APOLBNPC1
SCHEMBL23293005 0.78 NR4A2 (0.44) IDO1MEN1KMT2APOLBKDM4E
SCHEMBL26669981 0.78 KDM4E (0.64) IDO1MEN1KMT2APOLBNPC1
SCHEMBL31268114 0.77 MEN1 (0.67) IDO1MEN1KMT2APOLBNPC1
SCHEMBL8591131 0.77 MEN1 (0.67) IDO1MEN1KMT2APOLBNPC1
SCHEMBL5261442 0.77 SRC (0.64) IDO1MEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT IDO1 4327/4885MEN1 379/4885KMT2A 1166/4885

“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.