SCHEMBL16442829

SCHEMBL16442829

Cc1cc(Oc2ccccc2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
FFAR1 O14842 2/20 0.36
GRIA2 P42262 1/20 0.36
BCAT2 O15382 2/20 0.34
BCAT1 P54687 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL16442860 0.93 KMT2A (0.38) PPARGBCAT2BCAT1ALDH1A1MAPT
SCHEMBL17806102 0.92 SLC6A4 (0.34) PPARGFFAR1ALDH1A1KMT2ATSHR
SCHEMBL17806104 0.92 PPARG (0.39) PPARGBCAT2BCAT1ALDH1A1MAPT
SCHEMBL16442868 0.92 FFAR1 (0.41) PPARGFFAR1TSHRFFAR4
SCHEMBL17806103 0.90 ALDH1A1 (0.39) PPARGFFAR1ALDH1A1MAPTKMT2A
SCHEMBL16442799 0.90 PPARG (0.41) PPARGUSP2SLC22A12
SCHEMBL16442831 0.89 NPBWR1 (0.37) PPARGFFAR1ALDH1A1MAPTKMT2A
SCHEMBL16442892 0.89 ALDH1A1 (0.36) PPARGFFAR1ALDH1A1MAPTKMT2A
SCHEMBL16442830 0.89 PPARG (0.36) PPARGFFAR1GRIA2ALDH1A1MAPT
SCHEMBL16442823 0.89 SMN1; SMN2 (0.37) ALDH1A1MAPTKMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
WO-2015016373-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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 PPARG 1135/4885FFAR1 1450/4885GRIA2 2302/4885

“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.