SCHEMBL23944942

SCHEMBL23944942

CCCCCCCC(C)(CCCCCC)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CETP P11597 3/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.44
AAK1 Q2M2I8 1/20 0.44

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
SCHEMBL23318030 0.99 MBOAT4 (0.55) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL16327651 0.92 MBOAT4 (0.52) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL16327642 0.92 MBOAT4 (0.52) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL16327640 0.90 MBOAT4 (0.53) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL24064997 0.88 HTT (0.50) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL24064998 0.86 MEN1 (0.46) MBOAT4MEN1KMT2ACETPALDH1A1
SCHEMBL23318038 0.83 MEN1 (0.51) MBOAT4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25746327 0.82 HTT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2CTSS
SCHEMBL6130115 0.81 S1PR1 (0.49) MBOAT4CETP
SCHEMBL28086104 0.81 ITGB3 (0.51) MBOAT4MEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 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-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 MBOAT4 3761/4885MEN1 4333/4885KMT2A 3025/4885

“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.