SCHEMBL15944392

SCHEMBL15944392

Cc1ccc(SCC(C)C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAOA P21397 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LMNA P02545 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
SCHEMBL9621508 0.83 KMT2A (0.39) MAOANPC1ALDH1A1MAPTMEN1
SCHEMBL6200206 0.82 MAOA (0.57) MAOARAB9ANPC1ALDH1A1MEN1
SCHEMBL9621560 0.79 HRH3 (0.40) MAOATP53CA1CA2
SCHEMBL15855667 0.77 HPGD (0.49) HPGDUSP2MAOARAB9ANPC1
SCHEMBL18472987 0.77 ALDH1A1 (0.48) HPGDUSP2MAOARAB9ANPC1
SCHEMBL15944395 0.76 HPGD (0.43) HPGDUSP2RAB9ANPC1L3MBTL1
SCHEMBL15944396 0.74 MAPT (0.36) HPGDRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL7975244 0.74 MAOA (0.68) HPGDUSP2MAOARAB9ANPC1
SCHEMBL4720208 0.74 HPGD (0.46) HPGDUSP2MAOARAB9ANPC1
SCHEMBL14017008 0.72 HPGD (0.45) HPGDUSP2MAOARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 — — US disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 — — US disclosed
US-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-14 — — 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-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, CBR1, CYP2S1 HPGD 1366/4885USP2 1961/4885MAOA 1908/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 HPGD 585/4885USP2 2017/4885MAOA 46/4885

“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.

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