SCHEMBL12776936

SCHEMBL12776936

c1ccc(-c2ccc3ccc4c(-c5nc6ccccc6o5)ccc5ccc2c3c54)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 10/20 0.64
▸ ALDH1A1 P00352 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ HPGD P15428 8/20 0.64
▸ KDM4E B2RXH2 8/20 0.64
▸ TP53 P04637 6/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ PKM P14618 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HCRTR1 O43613 2/20 0.46
▸ GAA P10253 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ CASP1 P29466 1/20 0.44

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
SCHEMBL16484880 0.89 HSD17B10 (0.57) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL12776920 0.87 ALDH1A1 (0.54) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL12776912 0.86 ALDH1A1 (0.53) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL12776883 0.83 ALDH1A1 (0.54) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL15077962 0.81 KDM4E (0.50) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL592611 0.80 HSD17B10 (1.00) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL16484903 0.78 NPC1 (0.49) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL13965156 0.78 ALDH1A1 (0.43) HSD17B10ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL2147805 0.78 HSD17B10 (0.96) HSD17B10ALDH1A1NPC1RAB9AHPGD
SCHEMBL16483412 0.78 MET (0.52) HSD17B10ALDH1A1NPC1RAB9AHPGD

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 HSD17B10 2994/4885ALDH1A1 2046/4885NPC1 2742/4885

“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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