SCHEMBL20077560

SCHEMBL20077560

CCCCP([C@]12CC3C[C@H](C[C@H](C3)C1)C2)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 4/20 0.31
GRIN3B O60391 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2B Q13224 4/20 0.31
GRIN2C Q14957 4/20 0.31
GRIN3A Q8TCU5 4/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL27367847 1.00 EPHX2 (0.38) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL20067101 1.00 EPHX2 (0.38) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL128692 1.00 EPHX2 (0.38) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL19588665 1.00 EPHX2 (0.38) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL30985685 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL31296126 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
Iodide SCHEMBL237045 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL30454549 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
SCHEMBL31373110 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D
Bromide SCHEMBL28905083 0.98 EPHX2 (0.37) EPHX2HSD11B1KMT2ASMN1; SMN2GRIN2D

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-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF EPHX2 1678/4885HSD11B1 4718/4885KMT2A 3380/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF EPHX2 1678/4885HSD11B1 4718/4885KMT2A 3380/4885

“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.