SCHEMBL9420125

SCHEMBL9420125

C#CCCCCCCCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.89
PTGS1 P23219 5/20 0.89
ALOX5 P09917 4/20 0.89
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
F2R P25116 3/20 0.39

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
SCHEMBL7704620 1.00 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7696046 0.99 PTGS2 (0.91) PTGS2PTGS1ALOX5KMT2AMEN1
Tebufelone SCHEMBL43674 0.94 PTGS2 (1.00) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7701417 0.88 ALOX5 (0.83) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860963 0.87 PTGS2 (0.85) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860870 0.86 PTGS2 (0.84) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10548270 0.86 PTGS2 (0.70) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9004912 0.84 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL23293040 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7352493 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11684590-B2 Substituted alkylphenols as HCN1 antagonists CORNELL UNIVERSITY (US) 2023-06-27 US disclosed
US-11684590-B2 Substituted alkylphenols as HCN1 antagonists CORNELL UNIVERSITY (US) 2023-06-27 US disclosed
EP-0593497-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6--i(TERT)-BUTYLPHENOL COMPOUNDS. PROCTER & GAMBLE (US) 1994-04-27 EP disclosed
WO-1992017432-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6-TERT-BUTYLPHENOL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1992-10-15 WO disclosed
US-5126487-A Reacting 2-alkyl-6-tert-butyl phenol, unsaturated carboxylic acid, trifluoroacetic anhydride THE PROCTER & GAMBLE COMPANY (US) 1992-06-30 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-11684590-B2 Substituted alkylphenols as HCN1 antagonists HCN1, HCN2, HCN3 PTGS2 731/4885PTGS1 659/4885ALOX5 1288/4885

“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.