SCHEMBL17811666

SCHEMBL17811666

Cc1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR1 O14842 1/20 0.32
PKM P14618 1/20 0.32
GRM5 P41594 2/20 0.31
GRM1 Q13255 1/20 0.31
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
SCHEMBL16437186 0.90 PKM (0.32) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17811668 0.89 HTR1A (0.32) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17804254 0.88 PDCD1 (0.34) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17811676 0.88 CYP3A4 (0.32) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL16437199 0.87 FFAR1 (0.35) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17804259 0.87 BRD9 (0.33) FFAR1PKM
SCHEMBL17804256 0.86 GRM5 (0.31) GRM5GRM1
SCHEMBL16437504 0.86 PPARG (0.38) PPARGCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL16205987 0.85 HTR7 (0.37) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17811677 0.85 NR1H4 (0.34)

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 PPARG 1421/4885CYP3A4 39/4885CYP2C9 197/4885

“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.