SCHEMBL9890961

SCHEMBL9890961

Cc1ccc(-c2ccc3ccc4c(-c5ccc(C)cc5)cc(-c5nc6ccc(C)cc6o5)c5ccc2c3c45)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ KDM4E B2RXH2 11/20 0.47
▸ SMN1; SMN2 Q16637 10/20 0.47
▸ ALDH1A1 P00352 10/20 0.47
▸ HPGD P15428 9/20 0.47
▸ MAPT P10636 8/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ RPS6KA3 P51812 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ TP53 P04637 4/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 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
SCHEMBL12776911 0.94 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777003 0.94 NPC1 (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777060 0.90 KDM4E (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2296437 0.89 KDM4E (0.51) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12776923 0.88 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20107154 0.87 ALDH1A1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777110 0.85 RPS6KA3 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777154 0.85 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777212 0.85 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12777018 0.84 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 — — US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 — — US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 — — US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 — — US disclosed
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
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 — — US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 — — 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 (3 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 NPC1 4289/4885RAB9A 324/4885KDM4E 3391/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 NPC1 4534/4885RAB9A 953/4885KDM4E 3893/4885
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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