SCHEMBL22043379

SCHEMBL22043379

CCc1cccc(Br)c1C(C)(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
RIPK1 Q13546 2/20 0.41
TSHR P16473 2/20 0.33
TAAR1 Q96RJ0 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20146878 0.86 GABRA1 (0.52) GABRA1GABRB2RIPK1LMNANPC1
SCHEMBL21718404 0.84 GABRA1 (0.52) GABRA1GABRB2RIPK1TSHRTAAR1
SCHEMBL22043048 0.78 RIPK1 (0.46) GABRA1GABRB2RIPK1TAAR1LMNA
SCHEMBL25021754 0.78 GABRA1 (0.50) GABRA1GABRB2RIPK1TSHRTAAR1
SCHEMBL22043371 0.77 GABRA1 (0.43) GABRA1GABRB2TAAR1LMNAIDO1
SCHEMBL22140315 0.74 CA12 (0.37) LMNANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL22140226 0.74 HSD11B1 (0.36) RIPK1LMNANPC1MAPK1CASP3
SCHEMBL20508228 0.73 RIPK1 (0.36) GABRA1GABRB2RIPK1TSHRPLCG1
SCHEMBL19940597 0.72 GABRA1 (0.56) GABRA1GABRB2TAAR1
SCHEMBL22043382 0.72

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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885RIPK1 1367/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885RIPK1 1367/4885

“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.