SCHEMBL16260533

SCHEMBL16260533

Cc1cc(C)c(P(c2c(C)cccc2C)C(C)(C)C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.36
CYP1A2 P05177 4/20 0.33
CYP2A6 P11509 3/20 0.33
ACHE P22303 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL21873644 0.89 CYP2A6 (0.39) CYP1A2CYP2A6ACHEGABRA1GABRB2
SCHEMBL16260530 0.89 RAPGEF4 (0.36) RAPGEF4CYP1A2CYP2A6CA2ALDH1A1
SCHEMBL19058224 0.78 CYP1A2 (0.41) RAPGEF4CYP1A2CYP2A6ACHEFFAR4
SCHEMBL16263982 0.76 RAPGEF4 (0.39) RAPGEF4CYP1A2CYP2A6ACHEATM
SCHEMBL2548312 0.70 RAPGEF4 (0.36) RAPGEF4CYP1A2CYP2A6CA2ALDH1A1
SCHEMBL21873451 0.70 CYP2A6 (0.39) CYP1A2CYP2A6ACHEGABRA1GABRB2
SCHEMBL29193803 0.67 ACHE (0.50) CYP1A2ACHEALDH1A1TSHR
SCHEMBL26556085 0.66 PDK2 (0.36) RAPGEF4ALDH1A1
SCHEMBL5362839 0.64 RAPGEF4 (0.39) RAPGEF4CYP1A2CYP2A6FFAR4CA1
SCHEMBL11552812 0.64 ACHE (0.45) RAPGEF4CYP1A2CYP2A6ACHECA1

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-20140350303-A1 CATALYSTS FOR THE PRODUCTION OF METHANOL FROM CARBON DIOXIDE UNIVERSITé LAVAL (CA) 2014-11-27 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-20140350303-A1 CATALYSTS FOR THE PRODUCTION OF METHANOL FROM CARBON DIOXIDE SCO2, MGLL, CAT RAPGEF4 721/4885CYP1A2 783/4885CYP2A6 1231/4885

“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.