SCHEMBL16623911

SCHEMBL16623911

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nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
CNR1 P21554 2/20 0.36
DAGLB Q8NCG7 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
CPA1 P15085 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
FPR2 P25090 2/20 0.31
ATM Q13315 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL16623913 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL16623919 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL18098723 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL16623912 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL2377589 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL2377592 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL9825702 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL28671686 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL8020557 0.82 ENPEP (0.39) ALDH1A1L3MBTL1ADH1BADH1CADH1A
SCHEMBL28664873 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 US disclosed
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 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-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC ALDH1A1 2721/4885L3MBTL1 208/4885ADH1B 2336/4885

“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.