SCHEMBL9945975

SCHEMBL9945975

CCCCOc1ccc(F)c(C(C)C)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL9945978 0.84 CYP1A2 (0.39) GRM2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9893705 0.74 SMN1; SMN2 (0.36) GRM2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12360656 0.73 CSNK2A1 (0.40) SMN1; SMN2GLAL3MBTL1MEN1NPC1
SCHEMBL9945974 0.73 ESR1 (0.38) GRM2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11994372 0.71 FAAH (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2GLA
SCHEMBL15131365 0.71 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2GLA
SCHEMBL9685182 0.71 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2GLA
SCHEMBL1311491 0.70 SMN1; SMN2 (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2GLA
SCHEMBL15120786 0.69 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2GLA
SCHEMBL16025495 0.69 HPGD (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2L3MBTL1

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 GRM2 61/4885CYP1A2 2891/4885CYP2C9 4298/4885

“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.