SCHEMBL3374770

SCHEMBL3374770

CC(C)(C)c1ccccc1/C=C/C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.38
ALOX12 P18054 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 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
SCHEMBL8576453 0.83 ALDH1A1 (0.48) ALDH1A1TRPA1TDP1TSHRNFKB1
SCHEMBL30584115 0.80 NFKB1 (0.59) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL1403287 0.80 NFKB1 (0.59) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL1403288 0.80 NFKB1 (0.59) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL25280286 0.79 CDK4 (0.47) CDK4CCND1GABBR2GABBR1ALDH1A1
SCHEMBL536090 0.79 LMNA (0.55) ALDH1A1LMNATDP1TSHRALOX12
SCHEMBL16476616 0.78 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL11070320 0.78 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL31348027 0.77 ALDH1A1 (0.43) ALDH1A1LMNATDP1TSHRNFKB1
SCHEMBL10382469 0.77 ALDH1A1 (0.43) ALDH1A1LMNATDP1TSHRNFKB1

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-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 CDK4 3086/4885CCND1 3578/4885GABBR2 592/4885

“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.