SCHEMBL1100397

SCHEMBL1100397

COC(=O)/C=C/c1ccc(OC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
TYR P14679 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
KDM4E B2RXH2 4/20 0.62
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.60
TTR P02766 2/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 2/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55

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
SCHEMBL10389523 1.00 CA12 (0.64) CA12CA1CA2TYRCA7
SCHEMBL8082171 0.86 KMT2A (0.75) KDM4EMAPTKMT2ATTRMEN1
Acetic Acid Methyl Ester SCHEMBL28313629 0.86 GSK3B (0.67) CA12CA1CA2TYRCA7
SCHEMBL5057418 0.85 CA12 (0.84) CA12CA1CA2TYRCA7
SCHEMBL71224 0.85 CA12 (0.84) CA12CA1CA2TYRCA7
SCHEMBL14226869 0.85 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL27428673 0.85 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL7691349 0.84 MAPT (0.57) CA12CA1CA2TYRCA7
SCHEMBL7691353 0.84 MAPT (0.57) CA12CA1CA2TYRCA7
SCHEMBL30105639 0.84 GSK3B (0.73) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59196813-A None JP disclosed
US-20220315686-A1 CURABLE COMPOSITION, CURED SUBSTANCE, OPTICAL MEMBER, AND LENS FUJIFILM CORPORATION (JP) 2022-10-06 US disclosed
WO-2021132037-A1 CURABLE COMPOSITION, CURED PRODUCT, OPTICAL MEMBER AND LENS 富士フイルム株式会社 2021-07-01 WO disclosed
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8535769-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and oriented film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-17 US disclosed
US-20120172560-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND ORIENTED FILM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 EP disclosed
US-4978523-A P-hydroxycinnamides to remove pigment deposits in skin KAO CORPORATION (JP) 1990-12-18 US disclosed
JP-S59196813-A MELANIN INHIBITOR KAO CORP 1984-11-08 JP 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 (2 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-20100144806-A1 Cyclopropanecarboxylic Acid Compound GPR65, GPR34, GPR68 CA12 2025/4885CA1 1938/4885CA2 929/4885
US-20120172560-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND ORIENTED FILM CRY1, NAP1L1, LAS1L CA12 982/4885CA1 1269/4885CA2 2862/4885

“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.