SCHEMBL17616622

SCHEMBL17616622

Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGER1 P34995 3/20 0.32
MRGPRX4 Q96LA9 3/20 0.32
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
PLK1 P53350 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL16385265 0.91 ATM (0.39) MAPTALDH1A1HTTBRD4PTGDR2
SCHEMBL17616633 0.91 MRGPRX4 (0.37) MAPTALDH1A1MRGPRX4RAB9ANPSR1
SCHEMBL16273764 0.91 PTGDR2 (0.33) BRD4PTGDR2PTGER1MRGPRX4FFAR4
SCHEMBL17616593 0.91 FFAR1 (0.36) MAPTALDH1A1HTTPTGDR2PTGER1
SCHEMBL17616570 0.90 PTGER1 (0.37) MAPTALDH1A1HTTPTGDR2PTGER1
SCHEMBL17616631 0.88 L3MBTL1 (0.44) MAPTALDH1A1HTTMRGPRX4RAB9A
SCHEMBL8856034 0.88 MAPT (0.45) MAPTALDH1A1HTTPTGDR2RAB9A
SCHEMBL15856695 0.87 FFAR4 (0.37) PTGER1MRGPRX4FFAR4FFAR1
SCHEMBL16920772 0.86 MAPT (0.33) MAPTALDH1A1HTTMRGPRX4RAB9A
SCHEMBL17744718 0.86 PTGER1 (0.41) MAPTALDH1A1PTGER1FFAR4RAB9A

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 2 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-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 MAPT 3398/4885ALDH1A1 409/4885HTT 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.