SCHEMBL23944994

SCHEMBL23944994

CCCCCCC(C)(C)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.47
CETP P11597 3/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23944616 0.90 MBOAT4 (0.47) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL22326382 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL23944976 0.81 MBOAT4 (0.47) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL22780788 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11566331 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL23944461 0.78 ALDH1A1 (0.55) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL30440308 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29414961 0.78 CETP (0.51) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL25901621 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL30440629 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1

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 3761/4885CETP 1264/4885ALDH1A1 431/4885

“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.