SCHEMBL9945956

SCHEMBL9945956

CCCOc1ccc(F)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
KAT6A Q92794 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 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
SCHEMBL17658890 0.87 NQO1 (0.48) CARM1FFAR1FFAR4MAPTKMT2A
SCHEMBL22857118 0.86 CARM1 (0.46) CARM1CA12CA1CA2CA7
SCHEMBL24107339 0.85 CARM1 (0.41) CARM1KDM4EKMT2A
SCHEMBL18488070 0.85 FFAR1 (0.44) CARM1CA12CA1CA9KDM4E
SCHEMBL20314859 0.84 KDM4E (0.45) CARM1CA12CA1CA2CA7
SCHEMBL18488073 0.83 CARM1 (0.43) CARM1KDM4EFFAR1FFAR4KMT2A
SCHEMBL23939166 0.82 KDM4E (0.48) LTA4HKDM4EMAPT
SCHEMBL17658878 0.81 MAOA (0.41) CARM1KAT6AKDM4EMAPTMAOB
SCHEMBL19121936 0.81 KDM4E (0.47) CARM1CA12CA1CA2CA7
SCHEMBL2212307 0.80 LTA4H (0.46) KAT6ACA12CA1CA2CA7

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CARM1 4297/4885KAT6A 1934/4885CA12 4835/4885

“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.