SCHEMBL1847663

SCHEMBL1847663

O=C1[C@@H]2C[C@@H]3C[C@H]1CC(C(=O)O)(C3)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
HSD11B1 P28845 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 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
SCHEMBL1847669 1.00 EPHX2 (0.52) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL1847665 1.00 EPHX2 (0.52) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL328950 1.00 EPHX2 (0.52) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL23815408 1.00 EPHX2 (0.52) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL1398388 0.83 EPHX2 (0.52) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL2719341 0.82 EPHX2 (0.50) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL6495033 0.82 EPHX2 (0.50) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL25041744 0.82 EPHX2 (0.50) EPHX2TSHRALDH1A1NPSR1POLB
SCHEMBL19557168 0.79 HSD11B1 (0.48) EPHX2ALDH1A1HSD11B1L3MBTL1KDM4E
SCHEMBL19557166 0.79 HSD11B1 (0.48) EPHX2ALDH1A1HSD11B1L3MBTL1KDM4E

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 EPHX2 2166/4885TSHR 4809/4885ALDH1A1 1716/4885

“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.