SCHEMBL1039738

SCHEMBL1039738

CCc1cc(C(=O)O)cc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL27449011 0.86 TPMT (0.48) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27797687 0.85 TPMT (0.42) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27383638 0.85 KDM4E (0.43) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27400020 0.85 TPMT (0.42) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL583916 0.85 PTGS1 (0.42) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27797720 0.85 TPMT (0.42) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27573333 0.84 GABRP (0.48) TPMTALDH1A1GABRPGABRDGABRA1
SCHEMBL3097749 0.83 TPMT (0.56) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27567159 0.82 TPMT (0.39) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28013312 0.82 TPMT (0.39) TPMTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2019156667-A1 SHAPE MEMORY COMPOSITES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-08-15 WO disclosed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN disclosed
CN-102753527-A Cyclohexyl amide derivatives as crf receptor antagonists NOVARTIS AG 2012-10-24 CN disclosed
CN-101519372-B Benzo [e] isoindazole-1,3 diketone compound used as GSK inhibiting agent and preparation method thereof SHENZHEN SHENGJIE BIOLOGY TECHNOLOGY CO LTD 2011-07-20 CN disclosed
EP-1318176-B1 Color enhancement for resin blends SABIC INNOVATIVE PLASTICS IP (NL) 2011-01-26 EP disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN disclosed
US-7763646-B2 Compounds for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed
CN-101519372-A Benzo [e] isoindazole-1,3 diketone compound used as GSK inhibiting agent and preparation method thereof SHENZHEN SHENGJIE BIOLOGY TECH 2009-09-02 CN disclosed
US-20030013881-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-01-16 US disclosed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US disclosed
US-20020019403-A1 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-14 US disclosed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO disclosed
US-6140014-A MULTILAYER ELEMENT, PHOTOSENSITIVE COMPOSITION WITH GRAINS ON SURFACES FUJI PHOTO FILM CO., LTD. (JP) 2000-10-31 US disclosed
EP-0841190-B1 Lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2000-05-24 EP disclosed
EP-0841190-A1 Lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1998-05-13 EP disclosed
US-3983230-A HALF ESTERS WITH DICARBOXYLIC ACIDS, MEDICAMENTS SHIONOGI & CO., LTD. (JA) 1976-09-28 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 (3 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-20020019403-A1 Methods to treat alzheimer's disease PSEN1, PSEN2, BACE1 TPMT 1971/4885ALDH1A1 214/4885MEN1 2214/4885
US-20030013881-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BACE1 TPMT 2413/4885ALDH1A1 463/4885MEN1 1764/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 TPMT 2177/4885ALDH1A1 165/4885MEN1 1304/4885

“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.