SCHEMBL17616623

SCHEMBL17616623

Cc1cc(C)c(OCc2ccccc2N=C=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TRPA1 O75762 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOB P27338 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 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
SCHEMBL16273624 0.89 CYP3A4 (0.36) CYP3A4FFAR1FFAR4THRATHRB
SCHEMBL17806116 0.84 CYP3A4 (0.41) CYP3A4FFAR1FFAR4THRATHRB
SCHEMBL17616590 0.80 MRGPRX4 (0.39) CYP3A4FFAR1FFAR4TRPA1GABRA1
SCHEMBL17616643 0.78 L3MBTL1 (0.43) CYP3A4FFAR1FFAR4MAPTLMNA
SCHEMBL17616618 0.76 CYP3A4 (0.42) CYP3A4FFAR1FFAR4TRPA1GABRA1
SCHEMBL17616616 0.76 FFAR1 (0.36) FFAR1FFAR4THRATHRBMAPT
SCHEMBL16273615 0.76 MRGPRX4 (0.39) CYP3A4FFAR1FFAR4THRBMAPT
SCHEMBL17806117 0.75 CYP3A4 (0.40) CYP3A4FFAR1FFAR4TRPA1GABRA1
SCHEMBL17616615 0.74 TP53 (0.47) FFAR1FFAR4THRATHRBMEN1
SCHEMBL17616665 0.74 MAOB (0.43) FFAR1FFAR4THRATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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 (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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 CYP3A4 35/4885FFAR1 1450/4885FFAR4 2605/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 CYP3A4 17/4885FFAR1 1556/4885FFAR4 2020/4885

“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.