SCHEMBL5379995

SCHEMBL5379995

Oc1ccccc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.43
JAK2 O60674 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PPARG P37231 1/20 0.41
STK39 Q9UEW8 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1685381 0.87 LTA4H (0.46) THRATHRBRXRARXRBRXRG
SCHEMBL11048002 0.85 LTA4H (0.45) ARTHRATHRBRXRARXRB
SCHEMBL27886587 0.83 AR (0.49) ARTHRATHRBTSHRCA1
SCHEMBL69460 0.80 ALDH1A1 (0.56) ARTSHRCA1CA2TP53
SCHEMBL29492110 0.80 ALDH1A1 (0.56) ARTSHRCA1CA2TP53
Water SCHEMBL29062667 0.80 AR (0.47) ARTHRATHRBTSHRCA1
SCHEMBL6061860 0.80 ALDH1A1 (0.59) ARTSHRCA1CA2TP53
SCHEMBL29446988 0.80 CA2 (0.62) ARTSHRCA1CA2TP53
SCHEMBL18197 0.80 CA2 (0.62) ARTSHRCA1CA2TP53
Potassium SCHEMBL29898272 0.78 ALDH1A1 (0.54) ARTSHRCA2LMNAGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
EP-0009871-A1 Organic phosphoric acid ester derivatives, a process for preparing the same and fungicidal, insecticidal or miticidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1980-04-16 EP claimed
JP-55154931-A None JP disclosed
JP-55153794-A None JP disclosed
JP-55072199-A None JP disclosed
JP-55108849-A None JP disclosed
JP-54109934-A None JP disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US disclosed
JP-S55154931-A TRIFLUOROMETHYLPHENOXYISOPROPYLBENZENE AND ITS PREPARATION IHARA CHEM IND CO LTD 1980-12-02 JP disclosed
JP-S55153794-A ORGANIC PHOSPHORIC ESTER DERIVATIVE, ITS PREPARATION, AND GERMICIDE, INSECTICIDE, AND ACARICIDE COMPRISING IT KUMIAI CHEM IND CO LTD 1980-11-29 JP disclosed
JP-S55108849-A TRIFLUOROMETHYLPHENOXYCUMENEHYDROPEROXIDE AND ITS PREPARATION IHARA CHEM IND CO LTD 1980-08-21 JP disclosed
JP-S5572199-A ORGANIC PHOSPHATE DERIVATIVE, ITS PREPARATION, AND INSECTICIDE AND ACARICIDE COMPRISING IT KUMIAI CHEM IND CO LTD 1980-05-30 JP disclosed
EP-0009871-A1 Organic phosphoric acid ester derivatives, a process for preparing the same and fungicidal, insecticidal or miticidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1980-04-16 EP disclosed
EP-0009871-A1 Organic phosphoric acid ester derivatives, a process for preparing the same and fungicidal, insecticidal or miticidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1980-04-16 EP disclosed
JP-S54109934-A PHENOXYPHENOXYCROTONIC ACID, ITS PREPARATION, AND HERBICIDES CONTAINING IT KUMIAI CHEM IND CO LTD 1979-08-29 JP disclosed
US-4163661-A Phenoxyphenoxy crotonic acid derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1979-08-07 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 (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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA AR 129/4885THRA 144/4885THRB 119/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA AR 93/4885THRA 115/4885THRB 97/4885

“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.