SCHEMBL17616628

SCHEMBL17616628

Cc1ccc(OCc2ccccc2-n2nn[nH]c2=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL16273646 0.90 HSP90AA1 (0.42) MAPK1MAPTMRGPRX4KMT2AMEN1
SCHEMBL17616577 0.90 L3MBTL1 (0.39) L3MBTL1HPGDTSHRMAPK1MAPT
SCHEMBL17616629 0.89 MAPT (0.41) L3MBTL1HPGDTSHRMAPK1MAPT
SCHEMBL17616571 0.89 MRGPRX4 (0.40) L3MBTL1HPGDMAPK1MAPTNPC1
SCHEMBL17616600 0.88 MAPT (0.34) MAPK1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16920849 0.87 MRGPRX4 (0.38) L3MBTL1HPGDTSHRMAPK1MAPT
SCHEMBL17616580 0.86 FFAR1 (0.37) MAPTLMNAMRGPRX4ALDH1A1
SCHEMBL16920857 0.85 MRGPRX4 (0.40) L3MBTL1HPGDTSHRMAPK1MAPT
SCHEMBL17616596 0.84 FFAR1 (0.36) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL17616581 0.84 HTR1A (0.37) HPGDMAPTSMN1; SMN2LMNAMRGPRX4

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 L3MBTL1 170/4885HPGD 4608/4885TSHR 51/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 L3MBTL1 458/4885HPGD 4259/4885TSHR 188/4885

“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.