SCHEMBL15601973

SCHEMBL15601973

CCOC(COc1ccc(C2(C(=O)OC)CC2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
TET3 O43151 1/20 0.39
FBXL19 Q6PCT2 1/20 0.39
CXXC5 Q7LFL8 1/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CXXC4 Q9H2H0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 5/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL15592434 0.86 KMT2A (0.44) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL1465494 0.86 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL4839611 0.75 MEN1 (0.49) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL837139 0.75 ALDH1A1 (0.55) KMT2AMEN1TET3FBXL19CXXC5
SCHEMBL2989820 0.75 MAPT (0.60) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL23163648 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL25432525 0.74 PARP15 (0.50) KMT2AMEN1TSHRTDP1FFAR1
SCHEMBL1465605 0.74 L3MBTL1 (0.54) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16669733 0.74 PPARA (0.39) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL25382378 0.74 CA12 (0.44) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1

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-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 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-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885TSHR 2723/4885

“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.