SCHEMBL19469640

SCHEMBL19469640

COc1cc(C2(C(=O)O)CC2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1C4 P17516 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SELP P16109 4/20 0.45
SELL P14151 3/20 0.45
TLR7 Q9NYK1 1/20 0.42
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CXXC4 Q9H2H0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
APP P05067 3/20 0.40

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
SCHEMBL30223686 0.87 LMNA (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL1465569 0.87 LMNA (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL77742 0.87 LMNA (0.65) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL1721306 0.84 HTT (0.51) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL20195017 0.83 AKR1B10 (0.48) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL16865463 0.83 KMT2A (0.49) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL1466204 0.83 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL30223684 0.83 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL31247787 0.83 LMNA (0.49) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL19438739 0.81 LMNA (0.43) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4

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-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 AKR1C3 1461/4885AKR1C2 2755/4885AKR1C1 2204/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 AKR1C3 1461/4885AKR1C2 2755/4885AKR1C1 2204/4885

“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.