SCHEMBL2757053

SCHEMBL2757053

CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(c1)c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ P2RY6 Q15077 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL2756903 0.93 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2757045 0.88 RAB9A (0.43) NPC1RAB9AGFERKDM4EHPGD
SCHEMBL15446903 0.86 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12776975 0.84 KDM4E (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL15446998 0.82 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12776893 0.81 HPGD (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12380317 0.81 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12777067 0.81 NPC1 (0.48) NPC1RAB9AGFERKDM4EHPGD
SCHEMBL28402833 0.81 GPR84 (0.35) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL9920795 0.81 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTMMP13

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 NPC1 765/4885RAB9A 2024/4885MEN1 3638/4885

“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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