SCHEMBL9945978

SCHEMBL9945978

CCCCOc1ccc(F)c(C(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.34
CYP19A1 P11511 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GRM2 Q14416 2/20 0.34
FAAH O00519 3/20 0.33

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
SCHEMBL9945974 0.85 ESR1 (0.38) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL12360648 0.84 L3MBTL1 (0.40) CYP1A2CYP2C19SMN1; SMN2L3MBTL1TDP1
SCHEMBL9945975 0.84 GRM2 (0.37) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL15131365 0.80 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL15120786 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL18374607 0.79 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL12967735 0.77 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL11994372 0.77 FAAH (0.43) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL24661358 0.76 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2
SCHEMBL15120819 0.76 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2C19GLASMN1; SMN2

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 CYP1A2 2891/4885CYP2C9 4298/4885CYP2C19 3767/4885

“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.