SCHEMBL9945922

SCHEMBL9945922

CCOc1ccc(B(C)O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
TUBB1 Q9H4B7 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL29825639 0.88 KDM1A (0.46) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL8351 0.88 KDM1A (0.46) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL9945988 0.85 THRA (0.43) L3MBTL1CYP1A2CYP2C19TDP1SMN1; SMN2
SCHEMBL9945921 0.79 RORC (0.49) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL14205345 0.77 LMNA (0.46) L3MBTL1TDP1RAB9ASMN1; SMN2TSHR
SCHEMBL257900 0.76 CA1 (0.45) KDM1AL3MBTL1TUBB1CYP1A2CYP2D6
SCHEMBL6349214 0.75 KDM1A (0.44) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL177284 0.75 MAPT (0.40) L3MBTL1PDE4DUSP2HSD17B10ALDH1A1
SCHEMBL1510012 0.74 KDM1A (0.50) KDM1AL3MBTL1TUBB1KCNQ3KCNQ2
SCHEMBL2850890 0.74 HTT (0.45) KDM1AL3MBTL1HSD17B10TSHRALDH1A1

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 KDM1A 4657/4885L3MBTL1 4393/4885TUBB1 2643/4885

“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.