SCHEMBL9945934

SCHEMBL9945934

CCCOc1ccc(Br)c(B(C)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CSNK2A1 P68400 2/20 0.32

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
SCHEMBL16687409 0.89 HPGD (0.39) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL16687423 0.82 KDM4E (0.36) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL9945939 0.79 HPGD (0.38) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL28629692 0.79 HPGD (0.41) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL17997273 0.78 HPGD (0.42) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL6522773 0.76 MAPT (0.37) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL29951562 0.76 MAPT (0.37) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL18079242 0.76 MAPT (0.47) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL13754783 0.74 CSNK2A1 (0.41) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL13429936 0.74 HPGD (0.39) HPGDKDM4EMAPTMEN1KMT2A

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 HPGD 2142/4885KDM4E 4270/4885MAPT 2718/4885

“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.