SCHEMBL21701162

SCHEMBL21701162

COc1ccc(/C=C/C(OC(C)=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
NFE2L2 Q16236 1/20 0.50
KMT2A Q03164 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A1 P04798 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
VCP P55072 1/20 0.46
FDPS P14324 1/20 0.46

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
SCHEMBL17371451 0.80 CCR3 (0.51) ALDH1A1HPGDKMT2AGAATDP1
SCHEMBL21701145 0.77 CYP3A4 (0.51) KDM4EALDH1A1ALOX15NFKB1
SCHEMBL21701166 0.75 CYP2D6 (0.54) HPGDSMN1; SMN2JUNNFKB1NFE2L2
SCHEMBL27918628 0.75 ACHE (0.51) HPGDKMT2AGAATDP1ACHE
SCHEMBL13567785 0.74 JUN (0.62) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL30140773 0.74 PTGS1 (0.53) ALDH1A1SMN1; SMN2JUNNFKB1PTGS1
SCHEMBL1278027 0.74 PTGS1 (0.53) ALDH1A1SMN1; SMN2JUNNFKB1PTGS1
SCHEMBL27100252 0.74 CYP3A4 (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL18270549 0.73 JUN (0.79) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL27806088 0.73 HIF1A (0.50) HPGDSMN1; SMN2KMT2AACHE

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-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 WO 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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS KDM4E 1357/4885ALDH1A1 529/4885HPGD 188/4885
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS KDM4E 1357/4885ALDH1A1 529/4885HPGD 188/4885

“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.