SCHEMBL16437544

SCHEMBL16437544

Cc1ccc(C)c(OCc2c(C)cccc2-n2nnn(C)c2=O)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
PPARG P37231 1/20 0.34
HTR1A P08908 4/20 0.32
HTR1D P28221 4/20 0.32
HTR1B P28222 4/20 0.32
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 4/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL16437546 0.90
SCHEMBL17811678 0.85 CYP3A4 (0.37) PPARGHTR1AHTR1DHTR1BSLC6A4
SCHEMBL17811675 0.85 CYP3A4 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17811669 0.84 RXRA (0.31) HTR1ACYP3A4CYP2C9
SCHEMBL17811672 0.84 BDKRB2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17811655 0.83
SCHEMBL16437152 0.83 CYP3A4 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17614610 0.83 PPARG (0.36) PPARGKCNH2
SCHEMBL17811666 0.82 PPARG (0.34) PPARGHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL17811671 0.82 ADRB2 (0.35) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029035-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
WO-2015016372-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 SSTR4 3267/4885PPARG 1421/4885HTR1A 1527/4885

“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.