SCHEMBL3370341

SCHEMBL3370341

CC(C)(C)c1cccc(-c2ccccc2C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PTPN5 P54829 5/20 0.42
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL28627082 0.86 MEN1 (0.41) RXRARXRBALDH1A1NPC1PLA2G1B
SCHEMBL2478195 0.83 RORC (0.50) KIF11ALDH1A1L3MBTL1PTPN5
SCHEMBL3371015 0.81 XDH (0.47) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL3371017 0.78 NPC1 (0.47) KIF11RXRARXRBALDH1A1NPC1
SCHEMBL5711323 0.78 LMNA (0.57) ALDH1A1NPC1RAB9AGRM5MEN1
SCHEMBL307118 0.77 ALDH1A1 (0.45) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL28522316 0.77 KIF11 (0.40) KIF11RXRARXRBALDH1A1NPC1
SCHEMBL9989501 0.77 GPR84 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrogen Sulfide SCHEMBL27798476 0.77 KIF11 (0.52) KIF11RXRARXRBALDH1A1NPC1
SCHEMBL19154057 0.77 MEN1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1GRM5

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-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US claimed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP claimed
US-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US disclosed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP 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-20100256421-A1 Propanal Production Methods ALDH2, ALDH1A3, TERT KIF11 3032/4885RXRA 1517/4885RXRB 2256/4885

“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.