SCHEMBL20480682

SCHEMBL20480682

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.37
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL20480472 0.90 KDM4E (0.41) KDM4ELMNAALDH1A1HSD17B10PTGDR2
SCHEMBL20480596 0.89 ALDH1A1 (0.37) KDM4ELMNAALDH1A1HSD17B10PTGDR2
SCHEMBL20480628 0.89 PTGDR2 (0.38) KDM4ELMNAALDH1A1HSD17B10PTGDR2
SCHEMBL20480619 0.82 CYP1A2 (0.45) KDM4ELMNAALDH1A1HSD17B10PTGDR2
SCHEMBL20480552 0.80 HTR2A (0.35) ALDH1A1PTGDR2HTR1AMEN1KMT2A
SCHEMBL20480421 0.80 PTGDR2 (0.35) ALDH1A1HSD17B10PTGDR2MEN1KMT2A
SCHEMBL20478663 0.78 CYP1A2 (0.41) KDM4ELMNAPTGDR2MEN1KMT2A
SCHEMBL20480545 0.78 PTGDR2 (0.45) PTGDR2HTR1ACTNNB1WNT3A
SCHEMBL20478615 0.76 PTGDR2 (0.40) PTGDR2MEN1KMT2A
SCHEMBL20480598 0.76 HTR1A (0.35) KDM4ELMNAALDH1A1HSD17B10HTR1A

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
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
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

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 KDM4E 4044/4885LMNA 3733/4885ALDH1A1 4131/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G KDM4E 4044/4885LMNA 3733/4885ALDH1A1 4131/4885

“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.