SCHEMBL16385299

SCHEMBL16385299

Cc1ccc(-c2ccc(O)c(C)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.55
HSD17B2 P37059 4/20 0.55
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
KDM1A O60341 1/20 0.44
FGFR1 P11362 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL16542435 0.83 CCR1 (0.58) HSD17B1HSD17B2CCR1CCR5CCR8
SCHEMBL30470933 0.83 CCR1 (0.58) HSD17B1HSD17B2CCR1CCR5CCR8
SCHEMBL16385303 0.83 HSD17B1 (0.52) HSD17B1HSD17B2KDM1AFGFR1MEN1
SCHEMBL18601816 0.79 HSD17B1 (0.53) HSD17B1HSD17B2FGFR1MAPTRAB9A
SCHEMBL17051514 0.78 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL27018010 0.77 CCR1 (0.50) HSD17B1HSD17B2CCR1CCR5CCR8
SCHEMBL30536039 0.77 CCR1 (0.60) HSD17B1HSD17B2CCR1CCR5CCR8
SCHEMBL12128014 0.77 CCR1 (0.60) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12970413 0.77 CCR1 (0.60) HSD17B1HSD17B2CCR1CCR5CCR8
SCHEMBL2477927 0.76 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4

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 2000/4885CCR1 1629/4885

“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.