SCHEMBL2757045

SCHEMBL2757045

CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccc(-c5nc6cc(-c7ccc(F)cc7)ccc6o5)cc4)c4ccc(c1)c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ UTRN P46939 4/20 0.43
▸ GFER P55789 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ PTPN5 P54829 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC3 O15379 2/20 0.39

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
SCHEMBL15446911 0.88 PTPN1 (0.46) RAB9ANPC1UTRNKDM4EHPGD
SCHEMBL2757053 0.88 NPC1 (0.43) RAB9ANPC1GFERKDM4EHPGD
SCHEMBL2757080 0.82 NPC1 (0.45) RAB9ANPC1UTRNGFERSMN1; SMN2
SCHEMBL12776995 0.82 HDAC6 (0.46) RAB9ANPC1UTRNKDM4EHPGD
SCHEMBL12777066 0.82 HDAC6 (0.46) RAB9ANPC1UTRNKDM4EHPGD
SCHEMBL2756903 0.81 ALDH1A1 (0.49) RAB9ANPC1GFERKDM4EHPGD
SCHEMBL12777067 0.80 NPC1 (0.48) RAB9ANPC1GFERKDM4EHPGD
SCHEMBL12777219 0.79 NPC1 (0.47) RAB9ANPC1UTRNGFERSMN1; SMN2
SCHEMBL9920795 0.78 ALDH1A1 (0.39) GAAL3MBTL1ALDH1A1MAPT
SCHEMBL12777227 0.78 NPC1 (0.48) RAB9ANPC1GFERKDM4EHPGD

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 RAB9A 2024/4885NPC1 765/4885UTRN 2728/4885

“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.

Send feedback