SCHEMBL17616613

SCHEMBL17616613

Cc1ccc(OCc2ccccc2C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.55
FOLH1 Q04609 2/20 0.52
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CLCN2 P51788 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
SCHEMBL17616658 0.90 FFAR1 (0.47) MRGPRX4FOLH1HTTFFAR1FFAR4
SCHEMBL16273649 0.87 MRGPRX4 (0.55) MRGPRX4FOLH1TP53HTTFFAR1
SCHEMBL17788233 0.86 MRGPRX4 (0.56) MRGPRX4FFAR1FFAR4RXRARXRB
SCHEMBL16920921 0.83 MRGPRX4 (0.50) MRGPRX4FFAR1FFAR4RXRARXRB
SCHEMBL16273717 0.83 MRGPRX4 (0.61) MRGPRX4FOLH1TP53HTTFFAR1
SCHEMBL17616608 0.82 MRGPRX4 (0.58) MRGPRX4FOLH1TP53HTTALDH1A1
SCHEMBL17788234 0.81 MRGPRX4 (0.53) MRGPRX4RXRARXRBRXRG
SCHEMBL17788236 0.81 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL31568437 0.81 MRGPRX4 (0.80) MRGPRX4FOLH1TP53HTTFFAR1
SCHEMBL17616656 0.81 FOLH1 (0.59) MRGPRX4FOLH1TP53HTTFFAR4

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 MRGPRX4 1910/4885FOLH1 4810/4885TP53 3591/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885FOLH1 4776/4885TP53 3963/4885

“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.