SCHEMBL8798148

SCHEMBL8798148

Cc1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
MAPT P10636 4/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
GAA P10253 1/20 0.67
HPGD P15428 1/20 0.67
ALOX12 P18054 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 1/20 0.54
ELANE P08246 1/20 0.53

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
SCHEMBL2760390 0.90 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10922670 0.89 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL14469004 0.86 MAPT (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL13870503 0.86 MAPK14 (0.59) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL86392 0.81 MAPT (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL29375440 0.81 MAPT (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7820863 0.81 ALDH1A1 (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8797878 0.81 MAPT (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8797223 0.81 MAPT (0.68) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL655741 0.81 MAPT (1.00) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0188802-A2 Dibenz (b,e) oxepin derivative and antiallergic agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-07-30 EP disclosed
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed
US-4089961-A Antipsychotically useful quinolizidylidene derivatives of xanthenes, thioxanthenes and dibenzoxepins SMITHKLINE CORPORATION (US) 1978-05-16 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 (6 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885MAPT 3779/4885RAB9A 2590/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 ALDH1A1 630/4885MAPT 3101/4885RAB9A 4328/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 ALDH1A1 377/4885MAPT 3591/4885RAB9A 2614/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 ALDH1A1 385/4885MAPT 3779/4885RAB9A 2590/4885
US-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 ALDH1A1 2881/4885MAPT 4240/4885RAB9A 3589/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 ALDH1A1 172/4885MAPT 3503/4885RAB9A 3161/4885

“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.