SCHEMBL11892159

SCHEMBL11892159

CC(C)(C)c1cc(F)c(F)s1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.34
PDPK1 O15530 1/20 0.32
PRKDC P78527 1/20 0.30
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL14327695 0.78 MRGPRX1 (0.33) MRGPRX1PDPK1PRKDC
SCHEMBL21721212 0.78 PDPK1 (0.31) MRGPRX1PDPK1
SCHEMBL21721605 0.78 MRGPRX1 (0.33) MRGPRX1PDPK1
SCHEMBL20844037 0.78 MRGPRX1 (0.33) MRGPRX1PDPK1
SCHEMBL21721272 0.76 PDPK1 (0.30) PDPK1
SCHEMBL21721609 0.76 MAPK14 (0.30) PDPK1
SCHEMBL21653334 0.76 MRGPRX1 (0.33) MRGPRX1PDPK1
SCHEMBL21721321 0.76 PDPK1 (0.30) PDPK1
SCHEMBL21719959 0.76 MRGPRX1 (0.33) MRGPRX1PDPK1
SCHEMBL21719956 0.73 MRGPRX1 (0.34) MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 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 (3 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MRGPRX1 1875/4885PDPK1 707/4885PRKDC 2259/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MRGPRX1 1875/4885PDPK1 707/4885PRKDC 2259/4885
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 MRGPRX1 4102/4885PDPK1 3078/4885PRKDC 3660/4885

“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.