SCHEMBL13112950

SCHEMBL13112950

O[C@]12C[C@@H]3C[C@H](C1)[C@H](NCc1ccccc1)[C@@H](C3)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
HSD11B1 P28845 5/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 2/20 0.44
MAPK1 P28482 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1B P35368 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
FUCA1 P04066 1/20 0.42
TACR1 P25103 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL12057037 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL3505997 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL3505996 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL12057025 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL3505999 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL13819451 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL12057023 1.00 EPHX2 (0.47) EPHX2HSD11B1HPGDP2RX7MAPK1
SCHEMBL12057047 0.85 LMNA (0.47) EPHX2HSD11B1SMN1; SMN2
SCHEMBL12057044 0.85 SMN1; SMN2 (0.46) EPHX2HSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL12057042 0.85 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2MEN1KMT2AALDH1A1

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-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 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-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 EPHX2 4746/4885HSD11B1 2855/4885HPGD 2595/4885

“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.