SCHEMBL14735934

SCHEMBL14735934

Clc1ccc(Br)c(C=Cc2ccccc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 5/20 0.40
MAPT P10636 2/20 0.40
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 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
SCHEMBL14735933 1.00 HSD11B1 (0.46) HSD11B1ALDH1A1KMT2AMAPTPLA2G1B
SCHEMBL14752298 0.89 ERN1 (0.40) ALDH1A1NPC1RAB9ACYP2A6ERN1
SCHEMBL3094017 0.85 ALDH1A1 (0.59) HSD11B1ALDH1A1KMT2AMAPTPOLB
SCHEMBL3094031 0.85 ALDH1A1 (0.59) HSD11B1ALDH1A1KMT2AMAPTPOLB
SCHEMBL25540386 0.85 ALDH1A1 (0.41) HSD11B1ALDH1A1KMT2AMAPTPLA2G1B
SCHEMBL2566801 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTPLA2G1BPOLB
SCHEMBL14752307 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTPLA2G1BPOLB
SCHEMBL2566805 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTPLA2G1BPOLB
SCHEMBL14752283 0.81 HSD11B1 (0.54) HSD11B1KMT2AMAPTNFE2L2MEN1
SCHEMBL1751871 0.80 HSD11B1 (0.62) HSD11B1ALDH1A1KMT2ANFE2L2MEN1

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-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings THE JOHNS HOPKINS UNIVERSITY 2013-03-07 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-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings PNN, CIAPIN1, VNN1 HSD11B1 3340/4885ALDH1A1 4476/4885KMT2A 4092/4885

“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.