SCHEMBL3913993

SCHEMBL3913993

CCOC(=O)/C=C/Cc1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
RAB9A P51151 1/20 0.44
LMNA P02545 4/20 0.43
MDM2 Q00987 2/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GPR52 Q9Y2T5 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MDM4 O15151 1/20 0.41
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL3913996 1.00 MAPT (0.49) MAPTRAB9ALMNAMDM2TTR
SCHEMBL1511462 0.82 MAPT (0.49) MAPTRAB9ALMNAMDM2TTR
SCHEMBL1511465 0.82 MAPT (0.49) MAPTRAB9ALMNAMDM2TTR
SCHEMBL16379028 0.79 TTR (0.42) MAPTRAB9ALMNAMDM2TTR
SCHEMBL16379025 0.78 MAPT (0.46) MAPTRAB9ALMNAMDM2TTR
SCHEMBL6263496 0.78 MAPT (0.57) MAPTRAB9ALMNAMDM2TTR
SCHEMBL6263498 0.78 MAPT (0.57) MAPTRAB9ALMNAMDM2TTR
SCHEMBL8698401 0.77 GPR52 (0.51) LMNAGPR52ALDH1A1HCAR2
SCHEMBL8698403 0.77 GPR52 (0.51) LMNAGPR52ALDH1A1HCAR2
SCHEMBL8647200 0.77 RAB9A (0.64) MAPTRAB9ALMNAMDM2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233911-B2 Cu-mediated annulation for the production of 1-amino-2-naphthalenecarboxylic acid derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-12 US disclosed
US-9233911-B2 Cu-mediated annulation for the production of 1-amino-2-naphthalenecarboxylic acid derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-12 US disclosed
US-20150011781-A1 Cu-Mediated Annulation for the Production of 1-Amino-2-Naphthalenecarboxylic Acid Derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-08 US disclosed
US-20150011781-A1 Cu-Mediated Annulation for the Production of 1-Amino-2-Naphthalenecarboxylic Acid Derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-08 US disclosed
WO-2013105117-A1 Cu-MEDIATED ANNULATION FOR THE PRODUCTION OF 1-AMINO-2-NAPHTHALENECARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 WO disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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 (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-20150011781-A1 Cu-Mediated Annulation for the Production of 1-Amino-2-Naphthalenecarboxylic Acid Derivatives DDC, AOC2, AOC1 MAPT 1886/4885RAB9A 3952/4885LMNA 2844/4885
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP MAPT 15/4885RAB9A 1703/4885LMNA 2803/4885

“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.