SCHEMBL13199299

SCHEMBL13199299

Cc1c(CO)ccc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP1A2 P05177 1/20 0.41
METAP2 P50579 1/20 0.39
TSHR P16473 1/20 0.38
HAAO P46952 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL27830753 0.85 ALDH1A1 (0.41) PDCD1CD274METAP2TSHRALDH1A1
SCHEMBL26095722 0.85 CYP1A2 (0.42) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL3297206 0.85 GABRP (0.43) CYP1A2METAP2TSHRHAAOGABRP
SCHEMBL28127936 0.84 METAP2 (0.40) PDCD1CD274CYP1A2METAP2TSHR
Ethylene Glycol SCHEMBL25205438 0.82 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD
Ethylene Glycol SCHEMBL32685379 0.82 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD
Ethylene Glycol SCHEMBL10545807 0.82 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL128319 0.82 CYP1A2 (0.58) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL31389208 0.82 CYP1A2 (0.58) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL28693202 0.82 CYP1A2 (0.39) CYP1A2TSHRHAAOGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
CN-101402562-B Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2013-07-31 CN disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO disclosed
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 PDCD1 4006/4885CD274 3790/4885CYP1A2 778/4885

“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.