SCHEMBL15944398

SCHEMBL15944398

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ DAO P14920 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ MITF O75030 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL15944425 0.84 KDM4E (0.33) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL14235160 0.82 ALDH1A1 (0.46) ALDH1A1RAB9AKDM4EPOLBPKM
SCHEMBL15944396 0.80 MAPT (0.36) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL15944395 0.79 HPGD (0.43) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL15944374 0.75 ALDH1A1 (0.36) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL24307526 0.74 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL15944438 0.73 ALDH1A1 (0.33) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL9621484 0.69 MTNR1A (0.38) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL15944426 0.69 ALDH1A1 (0.33) ALDH1A1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL9621487 0.69 MTNR1A (0.38) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1

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 ALDH1A1 1329/4885RAB9A 4307/4885HPGD 1366/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885RAB9A 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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