SCHEMBL23622729

SCHEMBL23622729

CNC1C=C(C(=O)O)CCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.55
CES2 O00748 3/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23622821 1.00 OAT (0.55) OATCES2LMNATSHRNPC1
SCHEMBL23622816 1.00 OAT (0.55) OATCES2LMNATSHRNPC1
SCHEMBL23622744 0.82 OAT (0.36) OATLMNANPC1ALDH1A1RAB9A
SCHEMBL23622730 0.82 OAT (0.36) OATLMNANPC1ALDH1A1RAB9A
SCHEMBL23622707 0.82 OAT (0.36) OATLMNANPC1ALDH1A1RAB9A
SCHEMBL23622728 0.77 RAB9A (0.40) LMNANPC1ALDH1A1GAAMAPT
SCHEMBL23622822 0.77 RAB9A (0.40) LMNANPC1ALDH1A1GAAMAPT
SCHEMBL23622826 0.77 RAB9A (0.40) LMNANPC1ALDH1A1GAAMAPT
SCHEMBL6372307 0.75 OAT (0.60) OATCES2LMNATSHRNPC1
SCHEMBL6518383 0.72 OAT (0.62) OATCES2LMNATSHRGAA

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-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-08 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-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, GABBR2 OAT 421/4885CES2 4169/4885LMNA 3541/4885

“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.