SCHEMBL17616652

SCHEMBL17616652

Cc1cc(C)c(OCc2ccccc2C(=O)O)c(F)c1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
FOLH1 Q04609 2/20 0.45
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTGER1 P34995 1/20 0.40

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
SCHEMBL16273634 0.90 MRGPRX4 (0.46) MRGPRX4TP53HTTFOLH1ALOX5AP
SCHEMBL17616607 0.90 MAOB (0.41) MRGPRX4TP53HTTALDH1A1FFAR1
SCHEMBL17616648 0.84 MRGPRX4 (0.54) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616615 0.82 TP53 (0.47) MRGPRX4TP53HTTFOLH1ALOX5AP
SCHEMBL16273661 0.82 TP53 (0.47) MRGPRX4TP53HTTFOLH1ALOX5AP
SCHEMBL17616647 0.78 TSHR (0.34) MRGPRX4ALDH1A1FFAR1FFAR4THRA
SCHEMBL27877446 0.77 ALDH1A1 (0.55) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616627 0.77 MRGPRX4 (0.62) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616617 0.77 MRGPRX4 (0.55) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273613 0.77 MRGPRX4 (0.52) MRGPRX4TP53HTTFOLH1ALDH1A1

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 MRGPRX4 1910/4885TP53 3591/4885HTT 1597/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885TP53 3963/4885HTT 3209/4885

“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.