SCHEMBL4452236

SCHEMBL4452236

CCCCC(=C[Cu])CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
CA1 P00915 1/20 0.36
TERT O14746 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
FAAH O00519 2/20 0.33
PTPN1 P18031 2/20 0.33
PPARG P37231 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33

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
SCHEMBL4444135 0.89
SCHEMBL4444133 0.89
SCHEMBL8968327 0.75 CES1 (0.45) CES1CES2ALDH1A1TP53CA1
SCHEMBL30853834 0.75 CES1 (0.45) CES1CES2ALDH1A1TP53CA1
SCHEMBL9013160 0.73 CES1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL7738827 0.71 CES2 (0.46) CES1CES2ALDH1A1HSD17B10FABP4
SCHEMBL7738840 0.71 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL7025745 0.71 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL6361760 0.71 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL49972 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151234-B Process for producing cyclopropylphenol derivative SANKYO AGRO CO LTD 2011-06-15 CN disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
CN-101151234-A Process for producing cyclopropylphenol derivative SANKYO AGRO CO LTD (JP) 2008-03-26 CN disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 CES1 2320/4885CES2 993/4885ALDH1A1 2052/4885

“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.