SCHEMBL17616626

SCHEMBL17616626

Cc1cc(C)c(OCc2ccccc2C(=O)O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.60
MRGPRX4 Q96LA9 9/20 0.58
FOLH1 Q04609 2/20 0.57
ALDH1A1 P00352 1/20 0.52
CLCN2 P51788 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL16273716 0.90 TP53 (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616591 0.90 TP53 (0.68) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616617 0.89 MRGPRX4 (0.55) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616599 0.88 TP53 (0.46) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17616651 0.87 MRGPRX4 (0.69) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL17804521 0.85 MRGPRX4 (0.59) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL27877447 0.85 MRGPRX4 (0.59) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273717 0.85 MRGPRX4 (0.61) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL7540548 0.85 MRGPRX4 (0.59) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL16273718 0.85 TP53 (0.64) TP53HTTMRGPRX4FOLH1ALDH1A1

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 3 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-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 (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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 TP53 3963/4885HTT 3209/4885MRGPRX4 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.