SCHEMBL30872206

SCHEMBL30872206

CC(C)c1cccc2c1CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KRAS P01116 3/20 0.39
SOS1 Q07889 3/20 0.39
DPP4 P27487 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LMNA P02545 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 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
SCHEMBL9924223 1.00 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL10216198 0.89 CYP2A6 (0.44) HPGDKDM4EDPP4NR1H2NR1H3
SCHEMBL8200797 0.87 DPP4 (0.40) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL27531475 0.85 ALDH1A1 (0.38) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL23809196 0.82 ALDH1A1 (0.43) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL25628271 0.81 KRAS (0.43) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL287031 0.81 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL27506477 0.77 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL12930760 0.77 ALDH1A1 (0.45) ALDH1A1GAAHPGDKDM4EKRAS
SCHEMBL5541367 0.75 ALDH1A1 (0.41) ALDH1A1GAAHPGDKDM4EKMT2A

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-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 US disclosed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN 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-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS EGFR, ERBB2, ERBB4 ALDH1A1 2197/4885GAA 1002/4885HPGD 2654/4885

“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.