SCHEMBL343377

SCHEMBL343377

CC(=O)Oc1cccc2c1C(=O)c1ccccc1CO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TTR P02766 2/20 0.46
MEN1 O00255 1/20 0.44
ABCC4 O15439 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CHRM2 P08172 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL11271210 0.92 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL6907008 0.81 TTR (0.50) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL3359950 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL7833003 0.76 MAOA (0.59) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL11101186 0.75 TTR (0.72) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL3809960 0.75 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
Acetic Acid SCHEMBL343375 0.74 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL343281 0.74 KEAP1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11217585 0.73 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL343740 0.73 MAOA (0.47) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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
JP-55108834-A None JP disclosed
EP-2393797-B1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZACH SYSTEM SPA (IT) 2016-04-20 EP disclosed
US-8835655-B2 Process for preparing olopatadine and/or a pharmaceutically acceptable salt thereof ZACH SYSTEM S.P.A (IT) 2014-09-16 US disclosed
US-20120016138-A1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZACH SYSTEM S.P.A. (IT) 2012-01-19 US disclosed
EP-0119540-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES OF 6,11-DIHYDRO-11-OXODIBENZ (B,E)-OXEPINS, A PROCESS FOR THE PREPARATION AND INTERMEDIATES THEREOF AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-08-22 EP disclosed
US-4751238-A ANALGESICS, ANTIINFLAMMATORY AGENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-14 US disclosed
US-4576960-A 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin derivatives HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-03-18 US disclosed
US-4515946-A 6,11-Dihydro-11-oxo-dibenz-[b,e]oxepin derivatives HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-07 US disclosed
EP-0082521-A1 6,11-Dihydro-11,-oxo-dibenz(b,e)-oxepin derivatives, methods for their preparation, pharmaceutical compositions containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-29 EP disclosed
JP-S55108834-A PREPARATION OF (2-CARBOXYBENZYLOXY)-PHENYLACETATIC ACID DAI ICHI SEIYAKU CO LTD 1980-08-21 JP 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-20120016138-A1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF QDPR, OPRD1, O60361 ALDH1A1 1057/4885MAPT 2063/4885SMN1; SMN2 1726/4885

“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.