SCHEMBL6711531

SCHEMBL6711531

CCc1ccc(CC)c(Cc2c(CC)ccc(CC)c2CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
CTRC Q99895 1/20 0.34
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL29619533 0.91 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1ACTRC
SCHEMBL166573 0.91 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1ACTRC
Ammonia Solution, Strong SCHEMBL27539208 0.88 GABRA1 (0.39) GABRA1GABRB2TAAR1HTR1ACTRC
Ethylene SCHEMBL27502363 0.85 GABRA1 (0.38) GABRA1GABRB2TAAR1HTR1ACTRC
SCHEMBL10656642 0.81 CYP1A2 (0.37) GABRA1GABRB2CTRC
SCHEMBL27512807 0.81 TP53 (0.48) CTRC
SCHEMBL7643316 0.80 GABRA1 (0.35) GABRA1GABRB2TAAR1HTR1ACTRC
SCHEMBL188099 0.78 GABRA1 (0.33) GABRA1GABRB2CTRC
SCHEMBL4077011 0.78 PRKCI (0.39) GABRA1GABRB2CTRC
SCHEMBL1006285 0.78 GABRA1 (0.33) GABRA1GABRB2CTRC

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-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 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-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A GABRA1 1869/4885GABRB2 1185/4885TAAR1 827/4885

“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.