SCHEMBL2961398

SCHEMBL2961398

CC(C)(C)c1cc[c]c2cc3ccccc3cc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL69340 0.77 CYP2A6 (0.41) NQO1ALDH1A1TSHRTDP1
SCHEMBL1371539 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL1557069 0.74 CYP1A2 (0.39) NQO1ALDH1A1TSHRTDP1
SCHEMBL2255827 0.72 ALDH1A1 (0.40) NQO1ALDH1A1TSHRTDP1
SCHEMBL2289465 0.72 CYP2A6 (0.35) NQO1ALDH1A1
SCHEMBL9559831 0.72 CYP1A2 (0.40) NQO1ALDH1A1TDP1
SCHEMBL2252041 0.71 NQO1 (0.60) NQO1ALDH1A1
SCHEMBL2254662 0.71 MCL1 (0.39) NQO1ALDH1A1TSHR
SCHEMBL15270642 0.71 UGT2B7 (0.35) NQO1TDP1
SCHEMBL5749018 0.71 CYP1A2 (0.37) NQO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-20060110622-A1 Organic electroluminescent device LG ELECTRONICS, INC. (KR) 2006-05-25 US disclosed
CN-1735301-A Organic electroluminescent device LG ELECTRONICS INC (KR) 2006-02-15 CN disclosed
EP-1624501-A2 Organic electroluminescent device LG Electronics, Inc. (KR) 2006-02-08 EP 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 NQO1 712/4885ALDH1A1 944/4885TSHR 3646/4885

“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.