SCHEMBL16669733

SCHEMBL16669733

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 8/20 0.38
TET3 O43151 1/20 0.36
FBXL19 Q6PCT2 1/20 0.36
CXXC5 Q7LFL8 1/20 0.36
TET1 Q8NFU7 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CXXC4 Q9H2H0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARD Q03181 3/20 0.35
PLA2G4B P0C869 1/20 0.35
PPARG P37231 3/20 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
SCHEMBL1465494 0.82 KMT2A (0.57) PPARAKMT2AMEN1TSHRFFAR1
SCHEMBL2983617 0.77 PLA2G4B (0.57) TSHRPOLBPLA2G4B
SCHEMBL15592434 0.76 KMT2A (0.44) PPARAKMT2AMEN1TSHRFFAR1
SCHEMBL7442362 0.75 PLA2G4B (0.49) PPARAFFAR1LMNAPOLBPLA2G4B
SCHEMBL103360 0.74 MAPT (0.65) LMNAPOLBMAPTNPSR1
SCHEMBL15601973 0.74 KMT2A (0.42) KMT2AMEN1TSHRFFAR1TET3
SCHEMBL17400969 0.74 NQO1 (0.61) TSHRMAPT
SCHEMBL31752958 0.73 PARP10 (0.67) KMT2ALMNAPOLBMAPTNPSR1
SCHEMBL31292308 0.72 PPARD (0.43) PPARAFFAR1LMNAPPARDPPARG
SCHEMBL1193076 0.72 LMNA (0.53) LMNA

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-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 US disclosed
US-20150119441-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-04-30 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-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PPARA 761/4885KMT2A 4313/4885MEN1 4687/4885
US-20150119441-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 PPARA 761/4885KMT2A 4313/4885MEN1 4687/4885

“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.