SCHEMBL12777237

SCHEMBL12777237

Cc1ccc2nc(-c3ccc4ccc5c(-c6ccc7ccccc7c6)ccc6ccc3c4c65)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ HPGD P15428 7/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ TP53 P04637 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ RPS6KA3 P51812 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
SCHEMBL12777240 0.91 HPGD (0.53) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12776911 0.89 NPC1 (0.53) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12777228 0.87 ALDH1A1 (0.50) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12777242 0.84 RAB9A (0.46) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL9890961 0.83 NPC1 (0.50) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12776923 0.83 NPC1 (0.46) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12777212 0.83 NPC1 (0.47) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL16005432 0.82 NPC1 (0.64) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12776881 0.82 HPGD (0.49) NPC1RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL12777037 0.81 NPC1 (0.47) NPC1RAB9AHSD17B10HPGDSMN1; 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 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 NPC1 2742/4885RAB9A 3169/4885HSD17B10 2994/4885

“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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