SCHEMBL3369434

SCHEMBL3369434

CC(C)(C)c1cccc(/C=C/C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.55
CDK1 P06493 3/20 0.55
CDK4 P11802 3/20 0.55
CCNB1 P14635 3/20 0.55
CCND1 P24385 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
ALDH1A1 P00352 2/20 0.50
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPK1 P28482 1/20 0.50
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
XDH P47989 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ACHE P22303 3/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL3369438 1.00 CCNB2 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL366417 0.81 FBP1 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL366416 0.81 FBP1 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31512684 0.81 FBP1 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28008101 0.81 FBP1 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL406442 0.80 GABBR2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL309484 0.80 ALDH1A1 (0.48) ALDH1A1HDAC4HDAC2HDAC8TRPV1
SCHEMBL29846591 0.80 ALDH1A1 (0.48) ALDH1A1HDAC4HDAC2HDAC8TRPV1
SCHEMBL406443 0.80 GABBR2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31114357 0.80 CDK4 (0.72) CCNB2CDK1CDK4CCNB1CCND1

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 CCNB2 4291/4885CDK1 4789/4885CDK4 3086/4885

“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.