SCHEMBL3248705

SCHEMBL3248705

C=CC(=O)OC(C)(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CTSK P43235 2/20 0.47
THRB P10828 3/20 0.42
THRA P10827 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
MMP8 P22894 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
NLRP3 Q96P20 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
SCHEMBL18546114 0.85 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL28464666 0.85 CYP2C9 (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL1003605 0.84 CTSK (0.49) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL29023306 0.84 ALDH1A1 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1THRB
SCHEMBL3248877 0.83 CYP2C19 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL9819130 0.83 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL11572061 0.81 ALDH1A1 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL961692 0.81 CYP2C9 (0.47) CYP3A4CYP2C9CYP2C19ALDH1A1THRB
SCHEMBL3247274 0.81 CTSK (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK
SCHEMBL1003604 0.80 CTSK (0.49) CYP3A4CYP2C9CYP2C19ALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113905612-A Arthropod control composition 弗门尼舍有限公司 2022-01-07 CN claimed
CN-113905612-A Arthropod control composition 弗门尼舍有限公司 2022-01-07 CN disclosed
EP-1729176-B1 POSITIVE RADIATION-SENSITIVE RESIN COMPOSITION JSR CORP (JP) 2017-06-28 EP disclosed
US-7745658-B2 Process for preparing tertiary alkyl esters of (meth)acrylic acid having at least 4 carbon atoms in the alkyl radical BASF SE (DE) 2010-06-29 US disclosed
US-20090023947-A1 PROCESS FOR PREPARING TERTIARY ALKYL ESTERS OF (METH) ACRYLIC ACID HAVING AT LEAST 4 CARBON ATOMS IN THE ALKYL RADICAL BASF SE (DE) 2009-01-22 US disclosed
US-20070190465-A1 Positively radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-16 US disclosed
US-20070082965-A1 Photocuring resin composition, medical device using same and method for manufacturing same JSR CORPORATION (JP) 2007-04-12 US disclosed
EP-1729176-A1 POSITIVELY RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-12-06 EP disclosed
CN-1275940-C New phenylalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2006-09-20 CN disclosed
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
CN-1535261-A New phenylalkyloxy-phenyl derivatives 2004-10-06 CN disclosed
US-20040038148-A1 Positive type radiation-sensitive resin composition for producing product formed by plating and process for producing product formed by plating JSR CORPORATION (JP) 2004-02-26 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-20090023947-A1 PROCESS FOR PREPARING TERTIARY ALKYL ESTERS OF (METH) ACRYLIC ACID HAVING AT LEAST 4 CARBON ATOMS IN THE ALKYL RADICAL ACSL3, ACSL1, ACSL4 CYP3A4 141/4885CYP2C9 499/4885CYP2C19 251/4885

“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.