SCHEMBL15944425

SCHEMBL15944425

CCC(/C=C/C(C)=O)CSc1ccc(C)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DAO P14920 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
SCHEMBL15944398 0.84 ALDH1A1 (0.35) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL14234391 0.83 ALDH1A1 (0.44) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL15944426 0.81 ALDH1A1 (0.33) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL15944374 0.73 ALDH1A1 (0.36) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL15944438 0.71 ALDH1A1 (0.33) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL24307526 0.69 ALDH1A1 (0.41) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL15944396 0.69 MAPT (0.36) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL14235160 0.68 ALDH1A1 (0.46) KDM4ERAB9AALDH1A1
SCHEMBL13990864 0.67 KDM4E (0.44) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL12659908 0.67 NPC1 (0.50) KDM4ERAB9AALDH1A1HSD17B10NPC1

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 KDM4E 214/4885RAB9A 4307/4885HPGD 1366/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 KDM4E 3089/4885RAB9A 4799/4885HPGD 585/4885

“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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