SCHEMBL17616627

SCHEMBL17616627

Cc1ccc(OCc2ccccc2C(=O)O)c(C)c1F

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.62
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
FOLH1 Q04609 2/20 0.52
ALDH1A1 P00352 1/20 0.48
CLCN2 P51788 2/20 0.47
PTGER1 P34995 1/20 0.43

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
SCHEMBL17616659 0.89 MRGPRX4 (0.52) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273652 0.88 TP53 (0.53) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616648 0.85 MRGPRX4 (0.54) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL16273613 0.83 MRGPRX4 (0.52) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL24677896 0.82 MRGPRX4 (0.51) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL29831705 0.82 MRGPRX4 (0.51) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL5291219 0.80 HTT (0.68) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL2451531 0.80 ALDH1A1 (0.59) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616617 0.78 MRGPRX4 (0.55) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17804521 0.78 MRGPRX4 (0.59) 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.