SCHEMBL13766367

SCHEMBL13766367

COc1ccc2cc(C(C)C)ccc2c1-c1c(OC)ccc2cc(C(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HDAC4 P56524 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NQO1 P15559 1/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ABCB11 O95342 1/20 0.40
PTGS2 P35354 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGS1 P23219 2/20 0.39
TSHR P16473 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
UGT2B7 P16662 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL26621954 0.83 CYP19A1 (0.49) HDAC4HDAC8NQO1CYP1A2ALDH1A1
SCHEMBL25627482 0.81 CYP1A2 (0.57) MAPTHDAC4HDAC8CYP1A2ABCB11
SCHEMBL487736 0.79 HDAC4 (0.54) HDAC4HDAC8NQO1UGT2B7ALDH1A1
SCHEMBL3912740 0.76 UGT2B7 (0.45) CYP1A2HIF1APTGS1TSHRUGT2B7
SCHEMBL30031337 0.76 UGT2B7 (0.58) CYP1A2HIF1AABCB11PTGS2AKR1C3
SCHEMBL181347 0.76 UGT2B7 (0.58) CYP1A2HIF1AABCB11PTGS2AKR1C3
SCHEMBL29350013 0.76 MAPT (0.57) MAPTNQO1CYP1A2HIF1AEPAS1
SCHEMBL13772010 0.76 MAPT (0.57) MAPTNQO1CYP1A2HIF1AEPAS1
SCHEMBL19808408 0.76 CYP1A2 (0.46) CYP1A2
SCHEMBL487168 0.75 ABCB11 (0.65) MAPTCYP1A2ABCB11PTGS2AKR1C3

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 MAPT 906/4885HDAC4 2374/4885HDAC8 3659/4885

“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.