SCHEMBL23600875

SCHEMBL23600875

Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PDK2 Q15119 6/20 0.34
TSHR P16473 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL23600797 0.97 PDK2 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL21881058 0.94 NPC1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23485656 0.93 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24387972 0.93 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22744993 0.92 PDK2 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL808278 0.92 PDK2 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL21881056 0.91 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL17807606 0.90 TSHR (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23601148 0.90 PDK2 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22745066 0.90 PDK2 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021134820-A1 NEW ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 南京高光半导体材料有限公司 2021-07-08 WO disclosed
US-20210202843-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE NANJING TOPTO SEMICONDUCTOR MATERIAL CO., LTD. (CN) 2021-07-01 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-20210202843-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, C1S, H1-10 NPC1 3132/4885ALDH1A1 775/4885PLA2G1B 2343/4885

“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.