SCHEMBL22140231

SCHEMBL22140231

C#CCOc1cc(Cl)ccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HTR2A P28223 1/20 0.46
KMT2A Q03164 3/20 0.41
LMNA P02545 4/20 0.40
MAPK1 P28482 4/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 5/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL9422399 0.82 HTT (0.49) HPGDTSHRHTR2BLMNAMAPK1
SCHEMBL18544308 0.81 POLB (0.41) HPGDTSHRHTR2CHTR2BHTR2A
SCHEMBL22140216 0.81 HPGD (0.48) HPGDTSHRHTR2CHTR2BHTR2A
SCHEMBL22140251 0.81 MAOB (0.37) HPGDTSHRKMT2ALMNAMAPK1
SCHEMBL18748269 0.80 TSHR (0.45) HPGDTSHRHTR2CHTR2BHTR2A
SCHEMBL22140218 0.79 MAOB (0.40) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL22140423 0.78 TRPV4 (0.43) MAPK1HTTMAOBMAOAHSD17B10
SCHEMBL1477394 0.78 TSHR (0.54) HPGDTSHRHTR2CHTR2BHTR2A
SCHEMBL460339 0.78 CYP1A2 (0.49) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL6815916 0.77 HPGD (0.54) HPGDTSHRHTR2CHTR2BHTR2A

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 HPGD 1087/4885TSHR 1857/4885HTR2C 1690/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP HPGD 1087/4885TSHR 1857/4885HTR2C 1690/4885

“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.