SCHEMBL17616634

SCHEMBL17616634

Cc1cc(C)c(OCc2ccccc2N)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
FFAR1 O14842 2/20 0.37
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.36
MPO P05164 3/20 0.36
PLAU P00749 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL16273701 0.87 PTGDR2 (0.39) ALDH1A1PTGDR2CDK4CCND1MAPT
SCHEMBL17616585 0.87 FFAR1 (0.42) ALDH1A1PTGDR2RAB9ANPSR1FFAR4
SCHEMBL17616636 0.87 MCL1 (0.42) ALDH1A1PTGDR2MAPTFFAR4FFAR1
SCHEMBL21318001 0.87 PTGDR2 (0.39) ALDH1A1PTGDR2CDK4CCND1MAPT
SCHEMBL17616642 0.85 FFAR1 (0.40) ALDH1A1PTGDR2MAPTRAB9AFFAR4
SCHEMBL17616639 0.83 L3MBTL1 (0.49) ALDH1A1MAPTRAB9AFFAR4FFAR1
SCHEMBL7599662 0.82 CDK4 (0.46) ALDH1A1CDK4CCND1MAPTRAB9A
SCHEMBL16273692 0.82 FFAR4 (0.43) FFAR4FFAR1SLC6A4CD274
SCHEMBL20425118 0.81 MEN1 (0.45) ALDH1A1MAPTRAB9ANPSR1FFAR4
SCHEMBL16273712 0.81 MRGPRX4 (0.40) ALDH1A1PTGDR2MAPTNPSR1FFAR4

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
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 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 (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 ALDH1A1 409/4885PTGDR2 3306/4885CDK4 723/4885

“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.