SCHEMBL19670701

SCHEMBL19670701

C=C(/C=C\C)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
CNR1 P21554 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CETP P11597 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 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
SCHEMBL18458941 0.84
SCHEMBL23589968 0.83
SCHEMBL21587485 0.78 CYP2D6 (0.37) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13938955 0.78 CNR2 (0.62) CNR2CNR1PPARGPPARDPPARA
SCHEMBL21167819 0.76
SCHEMBL13938954 0.75 CNR2 (0.55) CNR2CNR1PPARGPPARDPPARA
SCHEMBL20275635 0.75
SCHEMBL6535964 0.74
SCHEMBL22074762 0.73
SCHEMBL20226873 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-9833466-B2 Treatment of leukemia with histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2017-12-05 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 (1 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CNR2 1385/4885CNR1 1533/4885PPARG 4311/4885

“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.