SCHEMBL20996751

SCHEMBL20996751

CCCCCCCCCCc1ccccc1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
TP53 P04637 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
PPARA Q07869 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
GPR3 P46089 1/20 0.42
ICMT O60725 2/20 0.41

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
SCHEMBL27432613 0.94 FFAR1 (0.45) LIPGNR1H2NR1H3TP53FFAR1
SCHEMBL9876334 0.92 TYR (0.42) LIPGNR1H2NR1H3TP53BID
SCHEMBL9875576 0.92 TYR (0.42) LIPGNR1H2NR1H3TP53BID
SCHEMBL9876437 0.92 TYR (0.42) LIPGNR1H2NR1H3TP53BID
SCHEMBL26545737 0.87 FFAR1 (0.47) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL29465684 0.86 PTGER4 (0.56) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL8521601 0.83 LIPG (0.55) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL3726514 0.83 LIPG (0.55) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL2303757 0.83 LIPG (0.55) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL761403 0.83 LIPG (0.55) LIPGNR1H2NR1H3BIDMCL1

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-20190161429-A1 Aromatic Esters and Polyesters, Production Without Esterification Catalyst, and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-05-30 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-20190161429-A1 Aromatic Esters and Polyesters, Production Without Esterification Catalyst, and Use PAH, ALKBH3, ALK LIPG 50/4885NR1H2 2622/4885NR1H3 2058/4885

“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.