SCHEMBL3899987

SCHEMBL3899987

O=C(O)c1[c]cc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2C19 P33261 1/20 0.41
MYC P01106 1/20 0.40
MGAM O43451 1/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
NGLY1 Q96IV0 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DAO P14920 3/20 0.37
SRD5A2 P31213 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3911957 0.92 KDM4E (0.42) IDO1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5748265 0.83 KDM4E (0.44) IDO1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL293511 0.82 ALDH1A1 (0.38) IDO1KDM4EHPGDALDH1A1MEN1
SCHEMBL8528700 0.77 DAO (0.33) IDO1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3391383 0.77 HSP90AA1 (0.46) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL5747767 0.76 ALDH1A1 (0.46) IDO1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3906521 0.75 IDO1 (0.34) IDO1KDM4EHPGDALDH1A1MEN1
SCHEMBL3387684 0.75 HPGD (0.51) HPGDALDH1A1KMT2ATSHR
SCHEMBL3900605 0.73 GPR35 (0.34) IDO1KDM4EHPGDALDH1A1CYP1A2
SCHEMBL3390191 0.73 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US claimed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO claimed
EP-0745719-A2 Use of carbohydrate compounds as auxiliary agents in the dyeing or printing of fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-04 EP claimed
US-4461769-A ANTIASTHEMIC AGENTS-PYRIDO(1,2-A)PYRIMIDINE COMPOUNDS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-07-24 US claimed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-1558556-B1 FLEXIBLE METHOD FOR THE JOINT PRODUCTION OF (I) FORMIC ACID, (II) A CARBOXYLIC ACID COMPRISING AT LEAST TWO CARBON ATOMS AND/OR THE DERIVATIVES THEREOF, AND (III) A CARBOXYLIC ACID ANHYDRIDE BASF SE (DE) 2009-03-18 EP disclosed
US-7253316-B2 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-7122299-B2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2006-10-17 US disclosed
US-20060052631-A1 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US disclosed
CN-1708473-A Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AG (DE) 2005-12-14 CN disclosed
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO disclosed
US-5766267-A USING FIBER REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
CN-1164856-A Novel alkylamino derivatives as sigma 2 selective ligands MITSUBISHI CHEM CORP (JP) 1997-11-12 CN disclosed
EP-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed
EP-0745719-A2 Use of carbohydrate compounds as auxiliary agents in the dyeing or printing of fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-04 EP disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 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-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease PSEN1, PSEN2, APP IDO1 1455/4885KDM4E 751/4885HPGD 2666/4885
US-20060052631-A1 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride CA3, CA1, CA6 IDO1 3618/4885KDM4E 3959/4885HPGD 488/4885

“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.