SCHEMBL25760150

SCHEMBL25760150

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GLRA1 P23415 1/20 0.43
GAA P10253 4/20 0.42
GABRB2 P47870 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
GSR P00390 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2B6 P20813 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL25760149 0.87 KMT2A (0.42) GABRA1GABRB1GLRA1GAALMNA
SCHEMBL12446747 0.79 HPGD (0.38) GABRA1GABRB1GAAHTTLMNA
SCHEMBL27584559 0.78 GABRA1 (0.53) GABRA1GABRB1CA1CA2GLRA1
SCHEMBL2484139 0.77 GABRA1 (0.51) GABRA1GABRB1CA1CA2GLRA1
SCHEMBL2482630 0.77 GABRA1 (0.51) GABRA1GABRB1CA1CA2GLRA1
SCHEMBL2485093 0.77 GABRA1 (0.51) GABRA1GABRB1CA1CA2GLRA1
SCHEMBL9246992 0.76 KDM4E (0.46) CA1CA2GAAHTTLMNA
SCHEMBL9246954 0.75 CA12 (0.46) CA1CA2CYP3A4EGFR
SCHEMBL21660797 0.75 GABRA1 (0.50) GABRA1GABRB1CA1CA2GLRA1
Acrylic Acid SCHEMBL30923509 0.74 CA1 (0.50) GABRA1GABRB1CA1CA2GAA

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 GABRA1 423/4885GABRB1 312/4885CA1 2932/4885

“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.