SCHEMBL4586367

SCHEMBL4586367

Cc1cc2c(Br)c3cc(C)c(C)cc3c(Br)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
NQO2 P16083 1/20 0.30
APEX1 P27695 1/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30

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
SCHEMBL12415320 0.76 ACHE (0.39) MAPK1ALDH1A1
SCHEMBL1134728 0.76 TSHR (0.41) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL12589323 0.73 TSHR (0.36) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL1135594 0.69 TSHR (0.44) TSHRCYP3A4MAPK1ALDH1A1NQO2
SCHEMBL29637482 0.69 TSHR (0.44) TSHRCYP3A4MAPK1ALDH1A1NQO2
SCHEMBL28600360 0.69 APEX1 (0.41) TSHRCYP3A4APEX1
SCHEMBL28563878 0.69 CYP1A2 (0.41) CYP3A4MAPK1ALDH1A1CYP1A2ALOX15
SCHEMBL31606803 0.69 ESR1 (0.43) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL11525099 0.67 APEX1 (0.33) TSHRALDH1A1CYP1A2APEX1
SCHEMBL25704920 0.67 ESR1 (0.42) TSHRCYP3A4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365198-B2 Silyl compound, light emitting material, and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2008-04-29 US disclosed
US-20070205715-A1 SILYL COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-09-06 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-20070205715-A1 SILYL COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LAS1L, CCNL2, EML4 TSHR 4768/4885CYP3A4 105/4885MAPK1 2850/4885

“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.