SCHEMBL12765142

SCHEMBL12765142

CC(C)=C1CCC(CN(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
MITF O75030 1/20 0.46
CCR6 P51684 3/20 0.45
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
METAP1 P53582 4/20 0.37
THRA P10827 1/20 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
Hydrochloric Acid SCHEMBL9301348 0.98 HSP90AA1 (0.48) HSP90AA1MITFCCR6ADRA2AADRA2B
SCHEMBL13899831 0.71
SCHEMBL3965498 0.66 METAP1 (0.41) HSP90AA1MITFCCR6METAP1
SCHEMBL10426987 0.66 ADRA1D (0.45) HSP90AA1MITFADRA1DADRA1AADRA1B
SCHEMBL8003063 0.66 METAP1 (0.71) METAP1THRATHRB
SCHEMBL2125675 0.66 METAP1 (0.71) METAP1THRATHRB
SCHEMBL11723357 0.65 THRA (0.52) CCR6METAP1THRATHRB
SCHEMBL11405141 0.65 CCR6 (0.40) HSP90AA1MITFCCR6ADRA2AADRA2B
SCHEMBL14229576 0.64 CCR6 (0.40) HSP90AA1MITFCCR6CYP3A4SMN1; SMN2
SCHEMBL6865770 0.64 HTR6 (0.39) HSP90AA1MITFCCR6SMN1; SMN2METAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058258-C 2-[N-substituted amine alkyl]-5-(E)-alkylmethylene or phenylmethylene cyclopentanone derivatives and applications SHENYANG COLLEGE OF PAHRMACY (CN) 2000-11-08 CN claimed
US-8415505-B2 2-methylene-5-substituted-methylenecyclopentanone derivatives and use thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-04-09 US disclosed
US-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-03-10 US 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-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF BRCA1, KLK3, DPYD HSP90AA1 2967/4885MITF 3345/4885CCR6 1856/4885

“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.