SCHEMBL9260618

SCHEMBL9260618

COc1ccc(C2(C(=O)O)CCC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
SELP P16109 4/20 0.54
SELL P14151 3/20 0.54
HDAC1 Q13547 1/20 0.52
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
QPCT Q16769 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 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
SCHEMBL77742 0.93 LMNA (0.65) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL25382920 0.87 LMNA (0.56) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL11095424 0.86 PDE4A (0.60) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL2948072 0.84 LMNA (0.97) LMNAKMT2AMEN1L3MBTL1HDAC1
SCHEMBL17713173 0.83 LMNA (0.57) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL9272207 0.83 KMT2A (0.71) LMNAKMT2AMEN1L3MBTL1HDAC1
SCHEMBL17713171 0.83 LMNA (0.57) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL30683836 0.83 LMNA (0.73) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL5698001 0.83 LMNA (1.00) LMNAKMT2AMEN1L3MBTL1SELP
SCHEMBL7420740 0.82 PDE4A (0.66) LMNAKMT2AMEN1L3MBTL1SELP

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 7 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
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0523493-A1 Dithianes F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 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 LMNA 4584/4885KMT2A 4803/4885MEN1 2068/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 LMNA 4584/4885KMT2A 4803/4885MEN1 2068/4885

“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.