SCHEMBL3654754

SCHEMBL3654754

C=C(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.71
▸ KMT2A Q03164 7/20 0.71
▸ MAPT P10636 6/20 0.71
▸ KDM4E B2RXH2 4/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ HPGD P15428 1/20 0.71
▸ SLC6A2 P23975 1/20 0.63
▸ FNTA P49354 1/20 0.63
▸ FNTB P49356 1/20 0.63
▸ LMNA P02545 3/20 0.59
▸ PKM P14618 1/20 0.56
▸ CYP3A4 P08684 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ APAF1 O14727 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MPO P05164 1/20 0.54

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
SCHEMBL6245320 0.86 MAPT (0.60) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL125249 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL27763159 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL29362070 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL29350750 0.83 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL12691322 0.83 MEN1 (0.65) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL7887240 0.83 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL26344 0.83 MEN1 (0.75) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL9494228 0.82 MEN1 (0.97) MEN1KMT2AMAPTKDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL18582291 0.82 MEN1 (0.97) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367847-B2 Production of monatin enantiomers CARGILL, INCORPORATED (US) 2013-02-05 — — US claimed
EP-2209767-A2 PRODUCTION OF MONATIN ENANTIOMERS Cargill, Incorporated (US) 2010-07-28 — — EP claimed
WO-2009044245-A2 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED (US) 2009-04-09 — — WO claimed
US-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED 2009-04-02 — — US claimed
US-20150011484-A1 PRODRUGS OF D-GAMMA-GLUTAMYL-D-TRYPTOPHAN AND D-GAMMA-GLUTAMYL-L-TRYPTOPHAN APTOEX TECHNOLOGIES, INC. (CA) 2015-01-08 — — US disclosed
US-8367847-B2 Production of monatin enantiomers CARGILL, INCORPORATED (US) 2013-02-05 — — US disclosed
EP-1445323-B1 PROCESS FOR PRODUCING GLUTAMIC ACID DERIVATIVES AJINOMOTO KK (JP) 2011-01-26 — — EP disclosed
EP-2209767-A2 PRODUCTION OF MONATIN ENANTIOMERS Cargill, Incorporated (US) 2010-07-28 — — EP disclosed
WO-2009044245-A2 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED (US) 2009-04-09 — — WO disclosed
US-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS CARGILL, INCORPORATED 2009-04-02 — — US disclosed
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 — — US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 — — 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 (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-20090088577-A1 PRODUCTION OF MONATIN ENANTIOMERS MON2, CIAPIN1, SI MEN1 51/4885KMT2A 974/4885MAPT 1800/4885
US-20150011484-A1 PRODRUGS OF D-GAMMA-GLUTAMYL-D-TRYPTOPHAN AND D-GAMMA-GLUTAMYL-L-TRYPTOPHAN TPH1, GCG, GLUL MEN1 1065/4885KMT2A 3209/4885MAPT 1840/4885

“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.

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