SCHEMBL5095404

SCHEMBL5095404

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
HTR2C P28335 2/20 0.55
ADRA2C P18825 2/20 0.52
SLC6A4 P31645 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
MAPT P10636 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.52
OPRK1 P41145 1/20 0.52
PPARA Q07869 2/20 0.52
EPHX1 P07099 6/20 0.48
ACP3 P15309 1/20 0.47
CYP3A4 P08684 3/20 0.46
USP2 O75604 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
NR1I2 O75469 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL5095202 0.87 PPARA (0.64) HTR2AHTR2BHTR2CADRA2CSLC6A4
Hydrochloric Acid SCHEMBL5095405 0.86 PPARA (0.63) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL249435 0.86 HTR2A (0.59) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL11859185 0.81 HTR2A (0.55) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL28268263 0.80 PPARA (0.53) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL6691789 0.79 HTR2A (0.61) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL24530025 0.77 HTR2A (0.67) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL3981772 0.77 HTR2A (0.58) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL3555234 0.76 CYP1A2 (0.64) CYP1A2PPARG
SCHEMBL7612638 0.76 HTR2A (0.66) HTR2AHTR2BHTR2CADRA2CSLC6A4

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-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
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

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 HTR2A 2264/4885HTR2B 825/4885HTR2C 759/4885
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide CBR1, CBR3, CYP4X1 HTR2A 2269/4885HTR2B 681/4885HTR2C 653/4885

“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.