SCHEMBL14907136

SCHEMBL14907136

Clc1cccc(-c2cc(Br)c(-c3cccc(Cl)c3)cc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.46
ALOX5 P09917 1/20 0.45
DHFR P00374 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NOTUM Q6P988 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NUDT1 P36639 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19163762 0.87 TDO2 (0.43) TDO2ALOX5DHFRTAAR1NOTUM
SCHEMBL20687339 0.87 TDO2 (0.43) TDO2ALOX5DHFRTAAR1NOTUM
SCHEMBL24316339 0.86 ADORA2A (0.43) TDO2ALOX5DHFRTAAR1NPC1
SCHEMBL3561173 0.83 ALDH1A1 (0.58) TDO2ALOX5DHFRTAAR1NOTUM
SCHEMBL30523563 0.81 TAAR1 (0.49) ALOX5TAAR1NPC1RAB9AESR2
SCHEMBL23618542 0.81 ESR2 (0.42) TDO2ALOX5DHFRESR2TP53
SCHEMBL23606014 0.81 GABRP (0.42) TDO2ALOX5DHFRTAAR1RAB9A
SCHEMBL30350353 0.79 TDO2 (0.41) TDO2ALOX5DHFRTAAR1NOTUM
SCHEMBL9862849 0.78 NPC1 (0.50) TDO2ALOX5DHFRTAAR1NOTUM
SCHEMBL30523580 0.78 ALOX5 (0.47) ALOX5TAAR1NPC1RAB9AESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207774-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2016-07-21 US disclosed
US-20160207774-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2016-07-21 US disclosed
US-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2014-10-09 US disclosed
US-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2014-10-09 US disclosed
WO-2013061256-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2013-05-02 WO 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-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS PCBP1, GMNN, PCNA TDO2 359/4885ALOX5 2272/4885DHFR 676/4885

“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.