SCHEMBL15944451

SCHEMBL15944451

COC(=O)C1C(O)=CC(=O)CC1C1(CSc2ccc(C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPT P10636 2/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15945508 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4ECYP3A4MAPT
SCHEMBL15944435 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL15944368 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL15944394 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL15944452 0.73 CRBN (0.36) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL15944405 0.72 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EHPGDMEN1
SCHEMBL9712339 0.69 ALDH1A1 (0.56) ALDH1A1MAPK1
SCHEMBL15945532 0.69 ALDH1A1 (0.46) ALDH1A1MAPK1KDM4ECYP3A4CRBN
SCHEMBL15944391 0.68 ALDH1A1 (0.48) ALDH1A1MAPK1NPC1RAB9ACRBN
SCHEMBL15944386 0.68 ALDH1A1 (0.48) ALDH1A1MAPK1RAB9AKDM4ECYP3A4

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 1329/4885MAPK1 2782/4885NPC1 4679/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPK1 3874/4885NPC1 4490/4885

“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.