SCHEMBL17616615

SCHEMBL17616615

Cc1cc(C)c(OCc2ccccc2C(=O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 7/20 0.46
FOLH1 Q04609 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL17616665 0.90 MAOB (0.43) HTTMRGPRX4FFAR1FFAR4THRA
SCHEMBL16273661 0.90 TP53 (0.47) TP53HTTMRGPRX4FOLH1FFAR1
SCHEMBL17616652 0.82 MRGPRX4 (0.48) TP53HTTMRGPRX4FOLH1FFAR1
SCHEMBL16273634 0.80 MRGPRX4 (0.46) TP53HTTMRGPRX4FOLH1FFAR1
SCHEMBL17616616 0.78 FFAR1 (0.36) HTTFFAR1FFAR4THRATHRB
SCHEMBL27877446 0.77 ALDH1A1 (0.55) TP53HTTMRGPRX4FOLH1THRA
SCHEMBL17616617 0.77 MRGPRX4 (0.55) TP53HTTMRGPRX4FOLH1FFAR1
SCHEMBL15729343 0.77 KDM1A (0.46) MRGPRX4THRATHRBMEN1KMT2A
SCHEMBL16273717 0.77 MRGPRX4 (0.61) TP53HTTMRGPRX4FOLH1FFAR1
SCHEMBL17616589 0.75 MAOB (0.47) HTTALDH1A1MEN1KMT2A

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 TP53 3591/4885HTT 1597/4885MRGPRX4 1910/4885
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.