SCHEMBL8996527

SCHEMBL8996527

COC(=O)C[C@H](NCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
ACP3 P15309 3/20 0.46
CHRM2 P08172 1/20 0.46
KCNA5 P22460 1/20 0.45
TACR3 P29371 1/20 0.44
CASR P41180 1/20 0.44
POLB P06746 1/20 0.44
OPRK1 P41145 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
SCHEMBL8996556 1.00 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4852674 1.00 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4856316 0.91 MEN1 (0.44) MEN1KMT2ASMN1; SMN2KCNA5TACR3
SCHEMBL4848178 0.91 PKM (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL4855940 0.91 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4855845 0.91 PKM (0.48) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4846798 0.90 TDP1 (0.53) MEN1KMT2ACASR
SCHEMBL4852606 0.90 PLA2G1B (0.55) MEN1KMT2AALDH1A1CASR
SCHEMBL4855579 0.90 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4850988 0.90 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 MEN1 1376/4885KMT2A 837/4885SMN1; SMN2 4448/4885

“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.