SCHEMBL15944404

SCHEMBL15944404

CC(=O)/C=C/CC(C)Sc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.36
ATM Q13315 1/20 0.36
STAT3 P40763 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL11290654 0.86 TSHR (0.46) HPGDKMT2AALDH1A1MAPTLMNA
SCHEMBL11292734 0.85 ALDH1A1 (0.35) HPGDKMT2AALDH1A1LMNAGAA
SCHEMBL9621613 0.82 NR4A1 (0.37) ALDH1A1CYP1A2
SCHEMBL9621612 0.82 NR4A1 (0.37) ALDH1A1CYP1A2
SCHEMBL15944403 0.76 HPGD (0.46) HPGDKMT2AALDH1A1MAPTLMNA
SCHEMBL9621714 0.76 GLA (0.34) HPGDKMT2AALDH1A1MAPTLMNA
Toluene SCHEMBL28401481 0.76 GLA (0.38) HPGDKMT2AALDH1A1MAPTLMNA
SCHEMBL9621716 0.76 GLA (0.34) HPGDKMT2AALDH1A1MAPTLMNA
SCHEMBL9621325 0.76 EPHX1 (0.43) HPGDKMT2AALDH1A1LMNAMEN1
SCHEMBL9621328 0.76 EPHX1 (0.43) HPGDKMT2AALDH1A1LMNAMEN1

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 HPGD 1366/4885KMT2A 466/4885ALDH1A1 1329/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 HPGD 585/4885KMT2A 1181/4885ALDH1A1 215/4885

“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.