SCHEMBL13766352

SCHEMBL13766352

CC(C)[Si](c1ccccc1)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP2A6 P11509 4/20 0.38
ALOX5 P09917 1/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13376512 0.96 ALOX5 (0.38) ALDH1A1CYP2A6ALOX5TSHRHSD17B10
SCHEMBL23532374 0.75 ALOX12 (0.35) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL13766348 0.75 ESR1 (0.37) CYP2A6ALOX5TSHRTDP1ADRA2A
SCHEMBL13964953 0.75 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL12124319 0.75 ESR1 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL16361036 0.74 ALDH1A1 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL8173517 0.74 ALDH1A1 (0.42) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL23051498 0.74 GPR3 (0.38) ALDH1A1ALOX5HPGD
SCHEMBL5063120 0.73 CYP1A2 (0.45) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL11524427 0.72 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same GRACEL DISPLAY INC. (KR) 2009-07-30 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-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same OCIAD1, AOX1, OCIAD2 ALDH1A1 39/4885CYP2A6 1293/4885ALOX5 89/4885

“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.