SCHEMBL238006

SCHEMBL238006

O=C1c2ccccc2C(=O)N1C(=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CES1 P23141 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SCN2A Q99250 1/20 0.45
POLB P06746 2/20 0.44
ASAH1 Q13510 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
PTGS1 P23219 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
Biphenyl SCHEMBL4649290 0.91 CA12 (0.48) CA12CA9CA1CA2SCN2A
SCHEMBL21855119 0.86 CA12 (0.52) CA12CA9CES1CA1CA2
SCHEMBL11277521 0.82 CA12 (0.48) CA12CA9CES1CA1CA2
SCHEMBL30704939 0.82 CA12 (0.54) CA12CA9CES1CA1CA2
SCHEMBL439730 0.82 CA12 (0.54) CA12CA9CES1CA1CA2
SCHEMBL23732653 0.80 CA12 (0.52) CA12CA9CES1CA1CA2
Ammonia Solution, Strong SCHEMBL11349034 0.80 CA12 (0.52) CA12CA9CES1CA1CA2
Hydrochloric Acid SCHEMBL9592305 0.80 CA12 (0.52) CA12CA9CES1CA1CA2
Ammonia Solution, Strong SCHEMBL11349044 0.80 CA12 (0.52) CA12CA9CES1CA1CA2
SCHEMBL2763214 0.80 LMNA (0.52) CA12CA9CES1CA1CA2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184477-A Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source 云南民族大学 2024-06-14 CN claimed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
CN-118184477-A Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source 云南民族大学 2024-06-14 CN disclosed
CN-118184477-A Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source 云南民族大学 2024-06-14 CN disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
WO-2006026053-A1 CATALYTICS ASYMMETRIC ACTIVATION OF UNACTIVATED C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2006-03-09 WO disclosed
WO-2005069930-A2 ASYMMETRIC HYDROGENATION OF ALPHA-AMINO CARBONYL COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 2005-08-04 WO disclosed
US-20050159604-A1 Asymmetric hydrogenation of alpha-amino carbonyl compounds THE PENN STATE RESEARCH FOUNDATION 2005-07-21 US disclosed
US-4232016-A 3-Fluorobenzodiazepines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-11-04 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 (10 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C CA12 4660/4885CA9 2887/4885CES1 3162/4885
US-20050159604-A1 Asymmetric hydrogenation of alpha-amino carbonyl compounds CBR1, CBR3, DECR1 CA12 771/4885CA9 1710/4885CES1 1832/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4648/4885CA9 3284/4885CES1 2816/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CA12 4643/4885CA9 3324/4885CES1 2821/4885

“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.