SCHEMBL15944400

SCHEMBL15944400

COC(=O)C1C(O)=CC(=O)CC1C(C)CSc1ccc(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL15944428 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL15945503 0.87 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4EPOLB
SCHEMBL15944394 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1KDM4EHPGD
SCHEMBL15944440 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EPOLBMAPT
SCHEMBL15944376 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EPOLBMAPT
SCHEMBL15945768 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4EPOLBMAPT
SCHEMBL15945766 0.75 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4E
SCHEMBL15944401 0.75 DAO (0.32) ALDH1A1KDM4EHPGD
SCHEMBL15945531 0.68 ALDH1A1 (0.42) ALDH1A1MAPK1KDM4EPOLBHPGD
SCHEMBL15944427 0.68 DAO (0.32)

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 2782/4885KDM4E 214/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885MAPK1 3874/4885KDM4E 3089/4885

“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.