SCHEMBL17811669

SCHEMBL17811669

Cc1cc(C)c(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1Cl

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CSF1R P07333 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL17811675 0.89 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL16437152 0.84 CYP3A4 (0.32) CYP3A4CYP2C9
SCHEMBL17811667 0.84 CYP3A4 (0.32) RXRAGRIN1GRIN2BCYP3A4CYP2C9
SCHEMBL17811668 0.84 HTR1A (0.32) CYP3A4CYP2C9HTR1ADRD2HTR2A
SCHEMBL16437544 0.84 SSTR4 (0.34) CYP3A4CYP2C9HTR1A
SCHEMBL17811657 0.83 RXRA (0.32) RXRAGRIN1GRIN2B
SCHEMBL17796906 0.83 PPARG (0.35) RXRAGRIN1GRIN2B
SCHEMBL17811656 0.83 PIK3CA (0.30)
SCHEMBL17804255 0.82 CYP3A4 (0.32) CYP3A4CYP2C9
SCHEMBL16437158 0.82 CYP3A4 (0.31) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RXRA 868/4885GRIN1 810/4885GRIN2B 2921/4885

“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.