SCHEMBL25760149

SCHEMBL25760149

C=CCC(=O)c1cc(C(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
TNFRSF1A P19438 1/20 0.35
F2R P25116 3/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL25760105 0.87 ALOX5 (0.51) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL25760150 0.87 GABRA1 (0.47) LMNAGAAGABRA1GABRB1CYP1A2
SCHEMBL10549570 0.79 ALOX5 (0.55) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL10554155 0.77 GLRA3 (0.50) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL25760144 0.77 GABRA1 (0.44) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL20099506 0.76 GABRA1 (0.42) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL11699535 0.74 SMN1; SMN2 (0.43) LMNARECQLGAAGABRA1GABRB1
SCHEMBL25760457 0.74 LMNA (0.36) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL10549863 0.74 PTGS2 (0.46) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL11611475 0.73 CA12 (0.49) KMT2ALMNARECQLGAAMEN1

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-11684590-B2 Substituted alkylphenols as HCN1 antagonists CORNELL UNIVERSITY (US) 2023-06-27 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 KMT2A 3842/4885ALOX5 1288/4885PTGS1 659/4885

“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.