SCHEMBL15944393

SCHEMBL15944393

Cc1ccc(SCC(C)C2CC(=O)C=C(O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HPGD P15428 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 2/20 0.34
CRBN Q96SW2 1/20 0.34
TP53 P04637 1/20 0.34
FKBP1A P62942 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14234218 0.85 HRH3 (0.36) CRBNL3MBTL1
SCHEMBL15944401 0.82 DAO (0.32) RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL15944434 0.74 MEN1 (0.39) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL14234215 0.73 HPGD (0.39) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL15944254 0.72 KMT2A (0.36) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL17169153 0.72 TBXA2R (0.35) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL17169161 0.72 KMT2A (0.35) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL17169162 0.72 MAPT (0.35) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL15944394 0.72 ALDH1A1 (0.47) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL15944406 0.71 HPGD (0.35) HPGDMEN1KMT2AUSP2SMN1; SMN2

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 RAB9A 4307/4885NPC1 4679/4885HPGD 1366/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 RAB9A 4799/4885NPC1 4490/4885HPGD 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.