SCHEMBL17616656

SCHEMBL17616656

Cc1ccc(OCc2ccccc2C(=O)O)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.59
ALDH1A1 P00352 2/20 0.58
MRGPRX4 Q96LA9 3/20 0.56
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
FFAR4 Q5NUL3 2/20 0.47
CLCN2 P51788 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL17616619 0.89 MAPT (0.48) FOLH1ALDH1A1TP53HTTKDM4E
SCHEMBL16273660 0.86 FOLH1 (0.61) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL16273717 0.86 MRGPRX4 (0.61) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL17616608 0.85 MRGPRX4 (0.58) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL31568524 0.84 MRGPRX4 (0.76) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL17616605 0.84 MRGPRX4 (0.76) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL7540548 0.83 MRGPRX4 (0.59) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL9131892 0.83 ALDH1A1 (0.77) FOLH1ALDH1A1MRGPRX4TP53HTT
SCHEMBL16920920 0.82 MRGPRX4 (0.47) ALDH1A1MRGPRX4TP53KDM4ENPY1R
SCHEMBL17616613 0.81 MRGPRX4 (0.55) FOLH1ALDH1A1MRGPRX4TP53HTT

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-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
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP 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 FOLH1 4810/4885ALDH1A1 1480/4885MRGPRX4 1910/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 FOLH1 4776/4885ALDH1A1 409/4885MRGPRX4 2185/4885

“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.