SCHEMBL4335835

SCHEMBL4335835

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nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 2/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4337694 0.79 POLB (0.34) PIK3CDCYP2C9CYP2C19CYP3A4POLB
SCHEMBL18730508 0.77 ALDH1A1 (0.36) CYP2C19POLB
SCHEMBL2934387 0.77 ALDH1A1 (0.36) CYP2C19POLB
SCHEMBL20279978 0.77 ALDH1A1 (0.37) PIK3CDCYP2C9CYP2C19CYP3A4POLB
SCHEMBL4338656 0.76 MEN1 (0.32) PIK3CDRXFP1CYP2C9MEN1KMT2A
SCHEMBL4340000 0.76 PIK3CD (0.36) PIK3CDRXFP1CYP2C9CYP2C19CYP3A4
SCHEMBL4339773 0.75 CYP3A4 (0.34) PIK3CDCYP2C9CYP2C19CYP3A4POLB
SCHEMBL4332766 0.75 ALDH1A1 (0.36) PIK3CDMEN1KMT2A
SCHEMBL4341550 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL4332970 0.73 ALDH1A1 (0.34) PIK3CDCYP3A4MEN1KMT2AFAAH

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-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 PIK3CD 1982/4885RXFP1 4279/4885CYP2C9 1613/4885

“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.