SCHEMBL2151065

SCHEMBL2151065

[2H]C([2H])(N)CC(O)c1cccc(C#CC2(O)CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP3K14 Q99558 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
NR2F2 P24468 1/20 0.37
ATM Q13315 1/20 0.36
GRM5 P41594 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PAK4 O96013 1/20 0.35
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL233593 0.90 POLB (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL234761 0.90 POLB (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL235310 0.90 POLB (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL13559261 0.89 MAP3K14 (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL235267 0.89 MAP3K14 (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL15576234 0.88 NPC1 (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL2150955 0.88 POLB (0.38) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL234994 0.86 MAP3K14 (0.37) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL15576232 0.83 NPC1 (0.39) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL2151263 0.83 NPC1 (0.37) POLBALDH1A1LMNAMEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 POLB 1758/4885ALDH1A1 777/4885LMNA 871/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 POLB 1758/4885ALDH1A1 777/4885LMNA 871/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 POLB 1758/4885ALDH1A1 777/4885LMNA 871/4885

“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.