SCHEMBL16385241

SCHEMBL16385241

CCc1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.49
HSD17B2 P37059 3/20 0.49
TRPV3 Q8NET8 7/20 0.48
CTSS P25774 6/20 0.44
CTSK P43235 5/20 0.40
AR P10275 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL17788165 0.81 HSD17B1 (0.52) HSD17B1HSD17B2TRPV3CTSSCTSK
SCHEMBL16385400 0.81 CTSS (0.55) TRPV3CTSSCTSKAR
SCHEMBL16385294 0.80 HSD17B1 (0.51) HSD17B1HSD17B2ARIRAK4ESR1
SCHEMBL21508309 0.78 AAK1 (0.50) HSD17B1HSD17B2CTSSCTSKESR1
SCHEMBL12468546 0.74 HSD17B1 (0.45) HSD17B1HSD17B2
SCHEMBL20878875 0.71 MAP4K4 (0.47) TRPV3
SCHEMBL13831046 0.71 CYP1A2 (0.46) HSD17B1HSD17B2ARIRAK4ESR1
SCHEMBL29485676 0.71 HSD17B1 (0.65) HSD17B1HSD17B2ARESR1ESR2
SCHEMBL1938893 0.71 HSD17B1 (0.65) HSD17B1HSD17B2ARESR1ESR2
SCHEMBL13273049 0.71 MEN1 (0.43) HSD17B1HSD17B2TRPV3IRAK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 HSD17B1 1419/4885HSD17B2 2000/4885TRPV3 2143/4885

“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.