SCHEMBL22140285

SCHEMBL22140285

C=CCOc1cc(Cl)ccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
HTR2C P28335 6/20 0.39
HTR2B P41595 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR2A P28223 4/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
REN P00797 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL22140449 0.82 HTT (0.49) GAATSHRKDM4EMEN1KMT2A
SCHEMBL22215852 0.81 MEN1 (0.43) GAATSHRKDM4EMEN1KMT2A
SCHEMBL22140249 0.81 HTR2C (0.46) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL22140447 0.81 MEN1 (0.56) GAATSHRKDM4EMEN1KMT2A
SCHEMBL18748269 0.80 TSHR (0.45) GAATSHRKDM4EMEN1KMT2A
SCHEMBL25322559 0.78 GAA (0.54) GAATSHRKDM4EMEN1KMT2A
SCHEMBL16685038 0.78 GAA (0.57) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL22140450 0.77 TRPV4 (0.43) GAATSHRKDM4EMEN1KMT2A
SCHEMBL3295019 0.77 GAA (0.56) GAATSHRKDM4EMEN1KMT2A
SCHEMBL7749472 0.76 HSD17B10 (0.47) GAATSHRKDM4ENPSR1ALDH1A1

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP GAA 2035/4885TSHR 1857/4885KDM4E 791/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP GAA 2035/4885TSHR 1857/4885KDM4E 791/4885

“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.