SCHEMBL12401985

SCHEMBL12401985

CCc1cc(CC)c(C2=C(C)C(C)(C3CC3)NC2=O)c(CC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
TNF P01375 1/20 0.30
MAPT P10636 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9883908 0.85 ALDH1A1 (0.34) ALDH1A1LMNAKMT2A
SCHEMBL13527261 0.83
SCHEMBL10309291 0.81 HTR2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL12458739 0.81 HTR2A (0.36) ALDH1A1LMNAKMT2AHTR2AHTR2C
SCHEMBL13960141 0.79 GSK3B (0.36) ALDH1A1LMNAKMT2AHTR2AL3MBTL1
SCHEMBL13002793 0.75 MMP13 (0.31)
SCHEMBL13168029 0.72 KMT2A (0.32) ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL14411041 0.70 ALDH1A1 (0.30) ALDH1A1LMNAKMT2A
SCHEMBL10309301 0.69 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL13070828 0.69 KMT2A (0.33) ALDH1A1LMNAKMT2A

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-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 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-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 ALDH1A1 2150/4885LMNA 1007/4885KMT2A 844/4885

“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.