SCHEMBL15592434

SCHEMBL15592434

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
TET3 O43151 1/20 0.40
FBXL19 Q6PCT2 1/20 0.40
CXXC5 Q7LFL8 1/20 0.40
TET1 Q8NFU7 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CXXC4 Q9H2H0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FFAR1 O14842 2/20 0.38
PPARA Q07869 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 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
SCHEMBL1465494 0.89 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL15601973 0.86 KMT2A (0.42) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL103360 0.76 MAPT (0.65) LMNAPOLBMAPTNPSR1ALDH1A1
SCHEMBL16669733 0.76 PPARA (0.39) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL2983617 0.73 PLA2G4B (0.57) TSHRPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL17400969 0.73 NQO1 (0.61) TSHRMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL12170296 0.72 ALDH1A1 (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL31752958 0.72 PARP10 (0.67) KMT2ALMNAPOLBMAPTNPSR1
SCHEMBL14347696 0.71 MAOB (0.59) LMNAFFAR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL16519363 0.71 NQO1 (0.46) TSHRPOLBMAPTTDP1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.