SCHEMBL10351083

SCHEMBL10351083

[2H]C([2H])Oc1ccc(C2(C(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
TET3 O43151 2/20 0.52
FBXL19 Q6PCT2 2/20 0.52
CXXC5 Q7LFL8 2/20 0.52
TET1 Q8NFU7 2/20 0.52
KDM2B Q8NHM5 2/20 0.52
CXXC4 Q9H2H0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C1 Q04828 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP26A1 O43174 1/20 0.39

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
SCHEMBL10351747 0.90 KMT2A (0.52) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL301027 0.87 KMT2A (0.64) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL503291 0.81 KMT2A (0.65) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3443266 0.81 KMT2A (0.61) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL21874196 0.80 KMT2A (0.57) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL10351842 0.80 OPRM1 (0.53)
SCHEMBL503877 0.79 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL21874269 0.79 KMT2A (0.63) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL16058193 0.77 KMT2A (0.57) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL11096445 0.77 KMT2A (0.57) KMT2ATET3FBXL19CXXC5TET1

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-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 KMT2A 586/4885TET3 4856/4885FBXL19 946/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 KMT2A 668/4885TET3 4861/4885FBXL19 954/4885

“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.