SCHEMBL14725775

SCHEMBL14725775

CC1(C)c2ccccc2-c2ccc3c(c(-c4cnc(-c5ccccc5)nc4)cc4cc5c(cc(-c6cnc(-c7ccccc7)nc6)c6c7c(ccc65)-c5ccccc5C7(C)C)cc43)c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGDS O60760 7/20 0.34
EGFR P00533 1/20 0.30

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
SCHEMBL14725780 0.84 CYP11B1 (0.43) RAB9ASMN1; SMN2
SCHEMBL14725774 0.81 PDK2 (0.43)
SCHEMBL14725618 0.80 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL14725791 0.79 PDK2 (0.32)
SCHEMBL15461874 0.79 PDK2 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL14727463 0.78 PDK2 (0.42) NPC1RAB9A
SCHEMBL14725778 0.77 CYP11B2 (0.38)
SCHEMBL17206431 0.76 L3MBTL1 (0.33) NFKB1NFKB2RELASMN1; SMN2
SCHEMBL21014716 0.76 L3MBTL1 (0.35) NFKB1NFKB2RELASMN1; SMN2
SCHEMBL14725800 0.75 ALOX5 (0.35) RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 NPC1 1953/4885NFKB1 3190/4885RAB9A 1964/4885

“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.