SCHEMBL29538643

SCHEMBL29538643

c1ccc2cc3cc4cc5c(-c6cccc7cc8cc9cc%10ccccc%10cc9cc8cc67)cccc5cc4cc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
HSD17B10 Q99714 7/20 0.48
HPGD P15428 5/20 0.48
HIF1A Q16665 4/20 0.48
CASP1 P29466 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
CASP7 P55210 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP1B1 Q16678 1/20 0.46
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL27506937 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL29354014 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL2871930 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL28412629 0.95 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL537002 0.95 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL1974253 0.93 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL2213062 0.93 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL27737859 0.93 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL29593313 0.90 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDHIF1ACASP1
SCHEMBL440879 0.90 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDHIF1ACASP1

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-12304919-B2 Metal-organic chalcogenolates MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-05-20 US disclosed
US-20230130671-A1 Metal-Organic Chalcogenolates MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-04-27 US disclosed
CN-114279479-A Solid-state quantum sensor based on microwave laser 北京理工大学 2022-04-05 CN disclosed