SCHEMBL25878191

SCHEMBL25878191

CC(C)(C)c1nc2cc(-c3ccccc3)ccc2n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AVPR1A P37288 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 1/20 0.39
GRM2 Q14416 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
ALOX5AP P20292 1/20 0.37
USP30 Q70CQ3 1/20 0.36
TSHR P16473 1/20 0.36
PTGER4 P35408 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
SCHEMBL20286689 0.85 MAPK1 (0.50) ALDH1A1MAPK1HTTKDM4ESMN1; SMN2
SCHEMBL25878198 0.84 MAPK1 (0.46) ALDH1A1MAPK1HTTKDM4ESMN1; SMN2
SCHEMBL14499586 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1HTTKDM4E
SCHEMBL18999472 0.83 MAPT (0.37) ALDH1A1HSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL12026134 0.81 MAPK1 (0.61) ALDH1A1MAPK1HTTSMN1; SMN2SLC22A12
SCHEMBL1104824 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10MAPK1HTTKDM4E
SCHEMBL24674274 0.79 ESR1 (0.40) ALDH1A1MAPK1HTTKDM4ESMN1; SMN2
SCHEMBL24674133 0.79 ESR1 (0.40) ALDH1A1MAPK1HTTKDM4ESMN1; SMN2
SCHEMBL24673724 0.79 ESR1 (0.40) ALDH1A1MAPK1HTTKDM4ESMN1; SMN2
SCHEMBL12912477 0.78 CNR2 (0.41) ALDH1A1MAPK1HTTKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM ALDH1A1 213/4885HSD17B10 2263/4885MAPK1 3137/4885

“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.