SCHEMBL5437395

SCHEMBL5437395

CCCCCCC=C(O)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.56
TSHR P16473 2/20 0.44
TERT O14746 3/20 0.43
PTPN1 P18031 3/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
TOP1 P11387 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL13891011 1.00 EP300 (0.56) EP300TSHRTERTPTPN1PPARG
SCHEMBL5437390 1.00 EP300 (0.56) EP300TSHRTERTPTPN1PPARG
SCHEMBL13317211 0.97 EP300 (0.52) EP300TSHRTERTPTPN1PPARG
SCHEMBL6034301 0.90
SCHEMBL21002254 0.90
SCHEMBL6034303 0.90
Allyl Alcohol SCHEMBL27689429 0.88 TSHR (0.50) EP300TSHRTERTPTPN1PPARG
SCHEMBL6692740 0.83 EP300 (0.54) EP300TERTPTPN1PPARGPPARD
SCHEMBL833159 0.83 EP300 (0.54) EP300TERTPTPN1PPARGPPARD
SCHEMBL17199787 0.83 EP300 (0.54) EP300TERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113316577-A GLi1 inhibitors as therapeutic agents 纽约大学 2021-08-27 CN disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 WO disclosed
US-20070191649-A1 Method for producing a propargyl alcohol and an allyl alcohol BASF AKTIENGESELLSCHAFT (DE) 2007-08-16 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-20070191649-A1 Method for producing a propargyl alcohol and an allyl alcohol ADH1A, ADH1C, AKR1C3 EP300 444/4885TSHR 1777/4885TERT 560/4885

“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.