SCHEMBL16839720

SCHEMBL16839720

COC(=O)CC1(NCc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.39
▸ NR1H4 Q96RI1 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37

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
SCHEMBL18025455 0.90 CD274 (0.39) MAPTGAAMAPK1
SCHEMBL16839693 0.87 CTSC (0.42) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL16839822 0.86 MMP2 (0.41) EPHX2LMNAMAPTGAAANO1
SCHEMBL16839701 0.86 ANO1 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1ANO1
SCHEMBL16838914 0.81 CD274 (0.41) LMNAMAPTMAPK1
SCHEMBL16839860 0.79 PPID (0.43) EPHX2NR1H4NPC1RAB9AMEN1
SCHEMBL16839627 0.78 EPHX1 (0.43) EPHX2ALDH1A1ANO1
SCHEMBL16762068 0.77 PPARA (0.44) —
SCHEMBL16839633 0.76 NPC1 (0.43) EPHX2NR1H4NPC1RAB9AMEN1
SCHEMBL16839625 0.76 NPC1 (0.43) EPHX2NR1H4NPC1RAB9AMEN1

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 EPHX2 1144/4885NR1H4 1113/4885NPC1 3447/4885

“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.

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