SCHEMBL15944396

SCHEMBL15944396

Cc1ccc(SCC(C)C=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ DAO P14920 1/20 0.32

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
SCHEMBL15944426 0.81 ALDH1A1 (0.33) MAPTLMNACCR1CCR5CCR8
SCHEMBL24307526 0.81 ALDH1A1 (0.41) MAPTLMNACCR1CCR5CCR8
SCHEMBL15944398 0.80 ALDH1A1 (0.35) MAPTLMNAALDH1A1PKMSMN1; SMN2
SCHEMBL14234220 0.79 ALDH1A1 (0.47) MAPTALDH1A1PKMRAB9AKDM4E
SCHEMBL15944392 0.74 HPGD (0.42) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL15944371 0.73 ALDH1A1 (0.41) MAPTLMNACCR1CCR5CCR8
SCHEMBL12659908 0.71 NPC1 (0.50) MAPTLMNACCR1CCR5CCR8
SCHEMBL15944437 0.71 ALDH1A1 (0.39) MAPTLMNACCR1CCR5CCR8
SCHEMBL18283325 0.69 L3MBTL1 (0.41) MAPTLMNACCR1CCR5CCR8
SCHEMBL15944425 0.69 KDM4E (0.33) MAPTLMNAALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 — — US disclosed
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 — — US disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 — — 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 (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-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, CBR1, CYP2S1 MAPT 4773/4885LMNA 3678/4885CCR1 1964/4885
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, DDT, WEE2 MAPT 4689/4885LMNA 4011/4885CCR1 2501/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 MAPT 1013/4885LMNA 4541/4885CCR1 1474/4885

“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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