SCHEMBL8774016

SCHEMBL8774016

CCCCC1CC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TLR4 O00206 1/20 0.38
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.36
GLB1 P16278 1/20 0.35

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
SCHEMBL17610100 1.00 MAPT (0.42) MAPTCYP1A2ALDH1A1USP2GAA
Hydrochloric Acid SCHEMBL8774105 0.98 MAPT (0.41) MAPTCYP1A2ALDH1A1USP2GAA
SCHEMBL8773987 0.94 ALOX5 (0.47) MAPTCYP1A2ALDH1A1ALOX5TP53
SCHEMBL8774187 0.94 ALOX5 (0.47) MAPTCYP1A2ALDH1A1ALOX5TP53
SCHEMBL8773985 0.94 ALOX5 (0.47) MAPTCYP1A2ALDH1A1ALOX5TP53
Hydrochloric Acid SCHEMBL8773999 0.92 ALOX5 (0.46) MAPTCYP1A2ALDH1A1ALOX5TP53
SCHEMBL8774017 0.92 ALOX5 (0.50) ALDH1A1ALOX5TP53HTTTSHR
Hydrochloric Acid SCHEMBL8774088 0.92 ALOX5 (0.46) MAPTCYP1A2ALDH1A1ALOX5TP53
SCHEMBL1882459 0.92 ALOX5 (0.50) ALDH1A1ALOX5TP53HTTTSHR
Hydrochloric Acid SCHEMBL8774002 0.92 ALOX5 (0.46) MAPTCYP1A2ALDH1A1ALOX5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-09-28 US disclosed
US-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-09-28 US disclosed
EP-3193939-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE The Regents of The University of California (US) 2017-07-26 EP disclosed
WO-2016044467-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-24 WO disclosed
EP-0496896-B1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU (JP) 1997-11-05 EP disclosed
US-5545747-A STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
EP-0496896-A1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 1992-08-05 EP disclosed
US-4220795-A MODIFIERS OF SMOOTH MUSCLE ACTIVITY, PLATELET ANTIAGGREGATING AGENTS, GASTRIC ANTISCRETORY AGENTS, BRONCHODILATORS MILES LABORATORIES, INC. (US) 1980-09-02 US disclosed
US-4117119-A 15-CYCLOBUTYL-PROSTAGLANDINS ONO PHARMACEUTICAL COMPANY (JP) 1978-09-26 US disclosed
US-4045468-A GASTRIC ULCERS ONO PHARMACEUTICAL COMPANY (JA) 1977-08-30 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-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE LIPE, MBOAT4, GHSR MAPT 4096/4885CYP1A2 3671/4885ALDH1A1 2268/4885

“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.