SCHEMBL12979679

SCHEMBL12979679

Brc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
HK1 P19367 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA1 P14867 1/20 0.53
IDO1 P14902 2/20 0.52
METAP2 P50579 1/20 0.52
MCL1 Q07820 1/20 0.49
BIRC5 O15392 1/20 0.49
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
DCUN1D1 Q96GG9 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL31191274 1.00 RAB9A (0.55) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL1031160 0.98 RAB9A (0.53) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL13203570 0.92 GABRA1 (0.60) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL2743814 0.92 MCL1 (0.57) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL13010498 0.92 GABRA1 (0.64) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL17956715 0.91 GABRA1 (0.58) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL23479280 0.90 GABRA1 (0.62) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL1034535 0.90 MCL1 (0.56) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL4547014 0.90 MCL1 (0.53) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL1033286 0.90 GABRA1 (0.62) RAB9AALDH1A1HPGDMAPTHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120256536-A1 PHOSPHINE OXIDE COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, PRODUCTION METHOD AND USES THEREOF SHOWA DENKO K.K. (JP) 2012-10-11 US disclosed
US-20120256536-A1 PHOSPHINE OXIDE COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, PRODUCTION METHOD AND USES THEREOF SHOWA DENKO K.K. (JP) 2012-10-11 US disclosed
US-20120256536-A1 PHOSPHINE OXIDE COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, PRODUCTION METHOD AND USES THEREOF SHOWA DENKO K.K. (JP) 2012-10-11 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-20120256536-A1 PHOSPHINE OXIDE COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, PRODUCTION METHOD AND USES THEREOF SLCO4C1, SLCO2A1, SLCO2B1 RAB9A 1146/4885ALDH1A1 644/4885HPGD 4521/4885

“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.