SCHEMBL5476809

SCHEMBL5476809

COc1cc(C(C)=O)cc2c1OC(C)(C)C=C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PTPN1 P18031 1/20 0.44
COXFA4 O00483 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
EP300 Q09472 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
PDCD1 Q15116 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL31239009 1.00 LMNA (0.46) LMNAPTPN1COXFA4ALDH1A1CYP3A4
SCHEMBL8131739 0.79 ALDH1A1 (0.44) PTPN1COXFA4ALDH1A1CYP3A4HPGD
SCHEMBL10071255 0.77 PDE4D (0.53) LMNAPTPN1ALDH1A1HPGDPDE4D
SCHEMBL10963021 0.77 EP300 (0.48) PTPN1COXFA4ALDH1A1TDP1PDE4D
SCHEMBL6795851 0.75 ODC1 (0.46) PTPN1ALDH1A1HPGDTDP1PDE4D
SCHEMBL14098901 0.74 COXFA4 (0.44) COXFA4ALDH1A1CYP3A4HPGDTDP1
SCHEMBL14363860 0.72 ALDH1A1 (0.53) PTPN1COXFA4ALDH1A1CYP3A4HPGD
Encecalin SCHEMBL4310132 0.71 ALDH1A1 (0.68) PTPN1COXFA4ALDH1A1CYP3A4HPGD
SCHEMBL16694172 0.70 COXFA4 (0.59) COXFA4ALDH1A1CYP3A4EP300HSP90AA1
SCHEMBL6648245 0.70 ALDH1A1 (0.57) PTPN1COXFA4ALDH1A1CYP3A4HPGD

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-20070254946-A1 Hair Growth Stimulants NAKAOJI KOUICHI 2007-11-01 US claimed
EP-1666036-A1 HAIR RESTORER Nippon Shinyaku Co., Ltd. (JP) 2006-06-07 EP claimed
US-20070254946-A1 Hair Growth Stimulants NAKAOJI KOUICHI 2007-11-01 US disclosed
EP-1666036-A1 HAIR RESTORER Nippon Shinyaku Co., Ltd. (JP) 2006-06-07 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-20070254946-A1 Hair Growth Stimulants CYP21A2, FGF1, TYR LMNA 3230/4885PTPN1 2996/4885COXFA4 349/4885

“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.