SCHEMBL4551393

SCHEMBL4551393

C=CCc1ccccc1-c1c(C)[c]ccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
AKR1B1 P15121 1/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL9630719 0.78 GABRA1 (0.49) GABRA1GABRB2AKR1B1GAAKDM4E
SCHEMBL5961795 0.73 GABRA1 (0.50) GABRA1GABRB2AKR1B1GAAKDM4E
SCHEMBL5454296 0.73 GABRA1 (0.41) GABRA1GABRB2AKR1B1GAALMNA
SCHEMBL2362466 0.72 GABRA1 (0.61) GABRA1GABRB2AKR1B1GAAKDM4E
SCHEMBL29900352 0.72 GABRA1 (0.61) GABRA1GABRB2AKR1B1GAAKDM4E
SCHEMBL18039125 0.70 ALDH1A1 (0.40) LMNAHTTALDH1A1
SCHEMBL7928568 0.70 GABRA1 (0.33) GABRA1GABRB2CYP3A4ALOX15ALOX12
SCHEMBL4564400 0.69 GABRA1 (0.46) GABRA1GABRB2AKR1B1GAAKDM4E
SCHEMBL87998 0.68 GABRA1 (0.47) GABRA1GABRB2GAALMNAALDH1A1
SCHEMBL227893 0.68 TRPA1 (0.34) CYP1A2

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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US claimed

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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GABRA1 325/4885GABRB2 259/4885AKR1B1 1105/4885

“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.