SCHEMBL1357308

SCHEMBL1357308

CC(C)(O)OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL29219369 0.84 CA1 (0.43) TDP1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL2590168 0.83 CA1 (0.44) TDP1CA1CA2CA9ALDH1A1
SCHEMBL20707560 0.82 CYP1A2 (0.43) TDP1CYP1A2IDO1SMN1; SMN2NPC1
SCHEMBL19432764 0.80 PPARG (0.31)
Boric Acid SCHEMBL29219456 0.80 CA1 (0.41) TDP1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL11147766 0.80 PPARG (0.47) NPC1RAB9AFFAR1
SCHEMBL1357307 0.79 CA1 (0.46) TDP1CA1CA2CA9ALDH1A1
SCHEMBL1356758 0.78 TSHR (0.48) TDP1CYP1A2CYP2C9CYP2C19CA1
SCHEMBL8376179 0.78 CA1 (0.47) TDP1CA1CA2CA9ALDH1A1
SCHEMBL30266580 0.78 CA1 (0.40) TDP1CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114488688-A Liquid crystal display element, method for producing same, and radiation-sensitive resin composition JSR株式会社 2022-05-13 CN disclosed
CN-112479875-A Method for preparing alpha-oxo-carboxylic ester by selective oxidation of alpha-hydroxy-carboxylic ester 厦门大学 2021-03-12 CN disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 US disclosed
US-20110281040-A1 LIQUID CRYSTAL DISPLAY ELEMENT, POSITIVE TYPE RADIATION SENSITIVE COMPOSITION, INTERLAYER INSULATING FILM FOR LIQUID CRYSTAL DISPLAY ELEMENT, AND FORMATION METHOD THEREOF JSR CORPORATION (JP) 2011-11-17 US disclosed
EP-0793144-B1 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 2001-01-17 EP disclosed
US-5962180-A COMPRISING (A) A COPOLYMER COMPRISING RECURRING UNITS OF A P-HYDROXYSTYRENE UNIT AND A STYRENE UNIT HAVING AN ACETAL GROUP OR A KETAL GROUP AT THE P-POSITION, (B) A COPOLYMER COMPRISING RECURRING UNITS OF A T-BUTYL (METH)ACRYLATE UNIT JSR CORPORATION (JP) 1999-10-05 US disclosed
EP-0793144-A2 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-09-03 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-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 TDP1 4737/4885CYP1A2 1500/4885CYP2C9 948/4885

“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.