SCHEMBL12776923

SCHEMBL12776923

Cc1ccc(-c2ccc3nc(-c4ccc5ccc6c(-c7ccc(C)cc7)ccc7ccc4c5c76)oc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ HPGD P15428 7/20 0.43
▸ HSD17B10 Q99714 6/20 0.43
▸ TP53 P04637 4/20 0.43
▸ ESR1 P03372 7/20 0.43
▸ ESR2 Q92731 7/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL12776911 0.94 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9890961 0.88 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12776925 0.87 HDAC6 (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12776913 0.86 KDM4E (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12776881 0.86 HPGD (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12777192 0.85 KDM4E (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12777212 0.84 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12777201 0.84 KDM4E (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20107154 0.84 ALDH1A1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12777237 0.83 NPC1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; 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 3169/4885KDM4E 1639/4885

“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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