SCHEMBL5095202

SCHEMBL5095202

CCC(Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.64
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
PPARG P37231 8/20 0.55
EPHX2 P34913 2/20 0.55
SIGMAR1 Q99720 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
PPARD Q03181 6/20 0.53
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51

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
Hydrochloric Acid SCHEMBL5095405 0.99 PPARA (0.63) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL249435 0.87 HTR2A (0.59) PPARAHTR2AHTR2BHTR2CSIGMAR1
SCHEMBL5095404 0.87 HTR2A (0.55) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL3961470 0.85 FOLH1 (0.62) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL1816528 0.85 HTR2A (0.56) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL3961471 0.85 FOLH1 (0.62) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL3961475 0.85 FOLH1 (0.62) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL7612638 0.83 HTR2A (0.66) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL5808951 0.83 HTR2A (0.50) PPARAHTR2AHTR2BHTR2CPPARG
SCHEMBL3470487 0.83 HTR2A (0.60) PPARAHTR2AHTR2BHTR2CPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
EP-1637525-B1 Benzoxazole compound, process for producing the same, and herbicides KYOYU AGRI CO LTD (JP) 2007-12-19 EP disclosed
CN-1294124-C Benzoxazole compound, process for producing the same and herbicide UBE INDUSTRIES (JP) 2007-01-10 CN disclosed
EP-1681287-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1681286-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1637525-A1 Benzoxazole compound, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-03-22 EP disclosed
US-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides UBE INDUSTRIES, LTD. (JP) 2005-10-20 US disclosed
US-6844295-B2 Benzoxazole compound, process for producing the same, and herbicide UBE INDUSTRIES, LTD. (JP) 2005-01-18 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide KYOYU AGRI CO., LTD. (JP) 2004-01-22 US disclosed
CN-1444569-A Benzoxazole compound, process for producing the same and herbicide UBE INDUSTRIES (JP) 2003-09-24 CN disclosed
EP-1302466-A1 BENZOXAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE Ube Industries, Ltd. (JP) 2003-04-16 EP disclosed
EP-0666252-B1 Phenyl substituted alkyl carboxylic acid guanidines with perfluoroalkyl groups, process for their preparation, their use as medicament or diagnostic agent as well as medicament containing the same HOECHST AG (DE) 2002-10-02 EP disclosed
US-5567734-A HYPOTENSIVE AGENT; DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
EP-0666252-A1 Phenyl substituted alkyl carboxylic acid guanidines with perfluoroalkyl groups, process for their preparation, their use as medicament or diagnostic agent as well as medicament containing the same HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 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 (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-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides CBR3, CBR1, CYP4X1 PPARA 2018/4885HTR2A 2264/4885HTR2B 825/4885
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide CBR1, CBR3, CYP4X1 PPARA 1537/4885HTR2A 2269/4885HTR2B 681/4885

“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.