SCHEMBL3371017

SCHEMBL3371017

CC(C)(C)c1ccc(C=O)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SCD O00767 1/20 0.38
CYP19A1 P11511 1/20 0.38
NR1H3 Q13133 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL29122786 0.83 PTGDR2 (0.49) ALDH1A1MAPTKIF11
SCHEMBL30779707 0.83 PTGDR2 (0.49) ALDH1A1MAPTKIF11
SCHEMBL13376109 0.82 ERN1 (0.41) RXRARXRB
SCHEMBL3371015 0.79 XDH (0.47) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL3370341 0.78 KIF11 (0.45) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL15945884 0.78 F9 (0.36) NPC1RAB9AALDH1A1SCDGPR84
SCHEMBL26004981 0.77 ALDH1A1 (0.57) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL5546203 0.77 ALDH1A1 (0.57) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL28195991 0.77 PSMB5 (0.50) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL28753084 0.77 ALDH1A1 (0.52) NPC1RAB9AALDH1A1PLA2G1BNFKB1

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 NPC1 4108/4885RAB9A 4781/4885ALDH1A1 4/4885

“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.