SCHEMBL2757013

SCHEMBL2757013

CC(C)(C)c1cc2ccc3c(-c4ccc5ccccc5n4)cc(-c4ccc5ccccc5n4)c4ccc(c1)c2c34

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.42
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTGS2 P35354 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL2756995 0.92 PTGS2 (0.40) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2757014 0.90 NPC1 (0.45) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2756940 0.86 NPC1 (0.42) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14197583 0.85 AR (0.49) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15446973 0.84 AR (0.47) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2756996 0.83 BACE1 (0.40) MEN1KMT2ALMNAPTGS2KDM4E
SCHEMBL2756970 0.83 NPC1 (0.39) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2757017 0.80 NPC1 (0.43) NPC1RAB9AKDM4ECYP1A2
SCHEMBL14900805 0.79 NPC1 (0.39) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2756952 0.79 ACACA (0.53) NPC1SMN1; SMN2MEN1KMT2ALMNA

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-8916275-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2014-12-23 — — US disclosed
US-8916275-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2014-12-23 — — US disclosed
US-20120001161-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-01-05 — — US disclosed
US-20120001161-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-01-05 — — 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-20120001161-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE JUP, TRPA1, ARNT AR 2912/4885NPC1 765/4885RAB9A 2024/4885

“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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