SCHEMBL9945990

SCHEMBL9945990

CCCCOc1ccc(F)cc1B(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.37
ESR1 P03372 1/20 0.37
ATM Q13315 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 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

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
SCHEMBL3316395 0.90 FAAH (0.43) FAAHCYP1A2CYP2C19CYP2D6TDP1
SCHEMBL9945989 0.88 CYP1A2 (0.41) FAAHCYP1A2CYP2C19CYP2D6TDP1
SCHEMBL29952280 0.86 S1PR3 (0.42) FAAHL3MBTL1MEN1KMT2AHTR2B
SCHEMBL9945926 0.85 L3MBTL1 (0.44) CYP1A2CYP2C19CYP2D6TDP1L3MBTL1
SCHEMBL29953363 0.84 S1PR3 (0.44) MEN1KMT2AHTR2BESR1LMNA
SCHEMBL29955403 0.84 S1PR3 (0.44) MEN1KMT2AHTR2BESR1LMNA
SCHEMBL29956366 0.84 S1PR3 (0.44) MEN1KMT2AHTR2BESR1LMNA
SCHEMBL9946008 0.83 KDM4E (0.43) CYP1A2CYP2C19CYP2D6TDP1L3MBTL1
SCHEMBL263259 0.82 HTR2C (0.46) FAAHCYP1A2CYP2C19CYP2D6TDP1
SCHEMBL9945986 0.81 ALDH1A1 (0.48) TDP1L3MBTL1MEN1KMT2ATSHR

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 FAAH 1491/4885CYP1A2 2891/4885CYP2C19 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.