SCHEMBL9945989

SCHEMBL9945989

CCCCOc1cc(F)ccc1B(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 2/20 0.40
FAAH O00519 4/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
PPM1A P35813 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL29953495 0.90 CYP1A2 (0.42) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL16034890 0.90 CYP1A2 (0.42) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL9945990 0.88 FAAH (0.41) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL9945923 0.85 L3MBTL1 (0.44) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL29951322 0.82 HTR2C (0.43) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL14988246 0.82 HTR2C (0.43) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL3316395 0.81 FAAH (0.43) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL25345554 0.78 ENPP2 (0.39) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL9632842 0.78 FAAH (0.43) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL29952280 0.76 S1PR3 (0.42) L3MBTL1FAAHMEN1KMT2ALMNA

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 2891/4885CYP2C19 3767/4885L3MBTL1 4393/4885

“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.