SCHEMBL1200604

SCHEMBL1200604

c1ccc(-c2coc(-c3cccc(-c4nc(-c5ccccc5)co4)n3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
ENPP3 O14638 6/20 0.54
ENPP1 P22413 5/20 0.54
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ASIC3 Q9UHC3 1/20 0.44
SMO Q99835 2/20 0.43
HSD11B1 P28845 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DAGLA Q9Y4D2 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
Benzene SCHEMBL16781371 0.85 ENPP3 (0.69) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL278182 0.85 ENPP3 (0.69) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL11566150 0.83 ENPP3 (0.72) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL31606598 0.83 ENPP3 (0.67) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL3271684 0.83 ENPP3 (0.72) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL28370241 0.83 SMN1; SMN2 (0.51) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL2198916 0.82 ENPP3 (0.65) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL5664564 0.82 ENPP3 (0.75) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL4247573 0.78 HSD17B1 (0.54) MEN1RAB9AKMT2AENPP3ENPP1
SCHEMBL19195915 0.77 ENPP3 (0.59) MEN1RAB9AKMT2AENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-17 US disclosed
EP-4186882-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-31 EP disclosed
EP-2264005-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-02 EP disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 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 (2 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-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SIRT1, SIRT3, HCCS MEN1 999/4885RAB9A 517/4885KMT2A 985/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 MEN1 1561/4885RAB9A 2192/4885KMT2A 1113/4885

“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.