SCHEMBL17521803

SCHEMBL17521803

Cn1c2cc3c4ccc5cc(/C=C/c6ccc7c(ccc8c9cc%10c(cc9n(C)c78)c7ccc8ccccc8c7n%10C)c6)ccc5c4n(C)c3cc2c2ccc3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP1B1 Q16678 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PLG P00747 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
SCHEMBL17521810 0.94 RELA (0.49) RELAALDH1A1NQO2MAPTSMN1; SMN2
SCHEMBL17521808 0.93 RELA (0.40) RELAALDH1A1NQO2MAPTSMN1; SMN2
SCHEMBL17521822 0.91 RELA (0.49) RELAALDH1A1NQO2MAPTSMN1; SMN2
SCHEMBL17521790 0.87 PRNP (0.45) ALDH1A1MAPTPRNPCYP1B1HSD17B10
SCHEMBL17521794 0.85 NFE2L2 (0.39) RELAALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL17521785 0.83 RELA (0.44) RELAALDH1A1NQO2MAPTSMN1; SMN2
SCHEMBL12777513 0.81 PRNP (0.42) ALDH1A1MAPTSMN1; SMN2PRNPACHE
SCHEMBL17524220 0.80 MAPT (0.39) RELAALDH1A1NQO2MAPTSMN1; SMN2
SCHEMBL17521804 0.79 CYP1B1 (0.54) ALDH1A1PRNPCYP1B1HSD17B10HIF1A
SCHEMBL13563042 0.78 RELA (0.47) RELAALDH1A1NQO2MAPTSMN1; SMN2

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-9512131-B2 Organic semiconductor material for organic transistor, and organic transistor element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-12-06 — — US disclosed
US-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-02-18 — — 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-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT SLC43A1, ALKBH3, TPR RELA 1242/4885ALDH1A1 2876/4885NQO2 4300/4885

“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.

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