SCHEMBL20480596

SCHEMBL20480596

COc1ccc(C2CCC2)c2c1C(C(N)=O)CCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
HTR1A P08908 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33

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
SCHEMBL20480682 0.89 KDM4E (0.38) ALDH1A1KDM4EHSD17B10LMNAHTR1A
SCHEMBL20480612 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNAF2
SCHEMBL20480628 0.80 PTGDR2 (0.38) ALDH1A1KDM4EHSD17B10LMNAHTR1A
SCHEMBL20480552 0.79 HTR2A (0.35) ALDH1A1HTR1APTGDR2MAPK1HTR2A
SCHEMBL20480472 0.79 KDM4E (0.41) ALDH1A1KDM4EHSD17B10LMNAHTR1A
SCHEMBL20480263 0.78 MAP3K14 (0.43) HTR1APTGDR2CTNNB1WNT3ANPC1
SCHEMBL20480651 0.78 LMNA (0.37) ALDH1A1KDM4EHSD17B10LMNAF2
SCHEMBL20480662 0.75 KDM4E (0.40) ALDH1A1KDM4EMAPK1TSHR
SCHEMBL20480598 0.75 HTR1A (0.35) ALDH1A1KDM4EHSD17B10LMNAF2
SCHEMBL20480619 0.70 CYP1A2 (0.45) ALDH1A1KDM4EHSD17B10LMNAPTGDR2

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
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G ALDH1A1 4131/4885KDM4E 4044/4885HSD17B10 3234/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G ALDH1A1 4131/4885KDM4E 4044/4885HSD17B10 3234/4885

“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.