SCHEMBL10079581

SCHEMBL10079581

C=C(CC(=O)OCC)C(=O)OC(C)OC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 3/20 0.58
AKR1B10 O60218 4/20 0.54
AKR1B1 P15121 4/20 0.54
TYR P14679 1/20 0.48
ESR1 P03372 1/20 0.45
CYP3A4 P08684 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PYGL P06737 1/20 0.43
MAOB P27338 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42

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
SCHEMBL10061425 0.83 CA12 (0.64) CA12CA7CA9CA14CA1
SCHEMBL6536636 0.81 CA12 (0.64) CA12CA7CA9CA14CA1
SCHEMBL10079531 0.80 GSK3B (0.51)
SCHEMBL7512189 0.77 CA12 (0.69) CA12CA7CA9CA14CA1
SCHEMBL31412417 0.76 CA12 (0.72) CA12CA7CA9CA14CA1
Ethyl P-Coumarate SCHEMBL1341911 0.75 CA12 (1.00) CA12CA7CA9CA14CA1
Ethyl P-Coumarate SCHEMBL1341910 0.75 CA12 (1.00) CA12CA7CA9CA14CA1
Ethyl P-Coumarate SCHEMBL14262661 0.75 CA12 (1.00) CA12CA7CA9CA14CA1
SCHEMBL10079582 0.75 LMNA (0.46) CYP3A4MMP2MMP9
SCHEMBL10061391 0.75 KDM4E (0.49) CA12CA7CA9CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165491-A1 PHOTOSENSITIVE COMPOUND AND ITS PHOTOSENSITIVE POLYMER CHISSO PETROCHEMICAL CORPORATION (JP) 2012-06-28 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-20120165491-A1 PHOTOSENSITIVE COMPOUND AND ITS PHOTOSENSITIVE POLYMER CCNT1, CCNA1, PYM1 CA12 1823/4885CA7 851/4885CA9 1023/4885

“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.