SCHEMBL17616596

SCHEMBL17616596

Cc1cc(C)c(OCc2ccccc2-n2nn[nH]c2=O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTGER1 P34995 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
HSP90AA1 P07900 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MPO P05164 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL17616610 0.94 MEN1 (0.35) FFAR1FFAR4MEN1KMT2APTGDR2
SCHEMBL17616600 0.91 MAPT (0.34) FFAR1FFAR4PTGDR2HSP90AA1HTT
SCHEMBL16273658 0.91 HSP90AA1 (0.38) FFAR1FFAR4PTGDR2PTGER1MRGPRX4
SCHEMBL17616573 0.88 FFAR1 (0.34) FFAR1FFAR4PTGDR2PTGER1MRGPRX4
SCHEMBL17788427 0.88 HSP90AA1 (0.32) FFAR1FFAR4MEN1KMT2AMRGPRX4
SCHEMBL17616581 0.87 HTR1A (0.37) MEN1KMT2AMRGPRX4HSP90AA1ALDH1A1
SCHEMBL17788429 0.86 SLC22A12 (0.35) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL17788424 0.86 MPO (0.34) MEN1KMT2AMRGPRX4HSP90AA1ALDH1A1
SCHEMBL16273645 0.85 HSP90AA1 (0.39) FFAR1FFAR4PTGDR2HSP90AA1MPO
SCHEMBL17616571 0.85 MRGPRX4 (0.40) FFAR1FFAR4MEN1KMT2APTGER1

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 FFAR1 1450/4885FFAR4 2605/4885MEN1 1396/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 FFAR1 1556/4885FFAR4 2020/4885MEN1 2368/4885

“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.