SCHEMBL584658

SCHEMBL584658

O=CCCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.45
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNH2 Q12809 1/20 0.35
RIPK1 Q13546 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL97948 0.88 DAO (0.42) DAOHTTALDH1A1MAOAMAOB
SCHEMBL97985 0.86 DAO (0.41) DAOHTTALDH1A1HDAC1
SCHEMBL17713470 0.82 PARP1 (0.34) DAOKCNH2
SCHEMBL585504 0.82 DAO (0.49) DAOHDAC1HDAC6
SCHEMBL13862104 0.82 ALDH1A1 (0.42) DAOALDH1A1HDAC1HDAC6
SCHEMBL1568015 0.82 PNMT (0.41) DAOKCNH2
SCHEMBL9818501 0.82 PARP1 (0.43) DAOALDH1A1MAOAMAOB
SCHEMBL1257233 0.82 DAO (0.49) DAOHDAC1
SCHEMBL1151214 0.82 DAO (0.46) DAOHDAC1HDAC6
SCHEMBL5206755 0.81 SOS1 (0.47) HTTALDH1A1MAOAMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210900-A2 Analogues of GLP-1 IPSEN PHARMA (FR) 2010-07-28 EP claimed
EP-1711523-A4 ANALOGUES OF GLP-1 SOD CONSEILS RECH APPLIC (FR) 2008-05-21 EP claimed
US-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 US claimed
EP-1711523-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2006-10-18 EP claimed
WO-2005058955-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2005-06-30 WO claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
WO-2005058955-A1 ANALOGUES OF GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2005-06-30 WO disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 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-20070042952-A1 Analogues of glp-1 GLP1R, IAPP, GIPR DAO 3460/4885HTT 742/4885ALDH1A1 3313/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA DAO 1230/4885HTT 1520/4885ALDH1A1 961/4885

“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.