SCHEMBL2589028

SCHEMBL2589028

NCCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CPA3 P15088 3/20 0.68
FOLH1 Q04609 3/20 0.64
CPA1 P15085 7/20 0.61
CPB1 P15086 1/20 0.61
CPB2 Q96IY4 1/20 0.61
SLC1A3 P43003 1/20 0.61
SLC1A2 P43004 1/20 0.61
SLC1A1 P43005 1/20 0.61
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
ANPEP P15144 1/20 0.54
ERAP2 Q6P179 1/20 0.54
MME P08473 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51

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
SCHEMBL429946 0.89 FOLH1 (0.70) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6724759 0.88 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL12494233 0.88 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL19821208 0.88 CYP1A2 (0.83) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL6459282 0.87 CYP1A2 (0.54) CYP1A2CPA3FOLH1CPA1CPB1
Hydrochloric Acid SCHEMBL30239113 0.87 FOLH1 (0.68) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL3044591 0.87 CYP1A2 (0.57) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL4016996 0.86 FOLH1 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL4023050 0.86 FOLH1 (0.66) CYP1A2CPA3FOLH1CPA1CPB1
SCHEMBL4017000 0.86 FOLH1 (0.66) CYP1A2CPA3FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
EP-2563847-A1 MCR DENDRIMERS Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2013-03-06 EP disclosed
WO-2011134607-A1 MCR DENDRIMERS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2011-11-03 WO disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-20070207992-A1 Geldanamycin derivatives and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-09-06 US disclosed
WO-2007098229-A2 GELDANAMYCIN DERIVATIVES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2007-08-30 WO disclosed
CN-1320359-C Immunoassay process to detect chemical matter BOIKEDE INC (US) 2007-06-06 CN disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
CN-1071454-C Method for marking a product and authenticating the product by detecting a marker in the product BOICKED CO LTD (US) 2001-09-19 CN disclosed
CN-1308236-A Immunoassay process to detect chemical matter BOIKEDE INC (US) 2001-08-15 CN disclosed
CN-1037969-A Detection of chemical substances by immunoassay SHELL INT RESEARCH (NL) 1989-12-13 CN 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD CYP1A2 567/4885CPA3 4707/4885FOLH1 2309/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD CYP1A2 567/4885CPA3 4707/4885FOLH1 2309/4885
US-20070207992-A1 Geldanamycin derivatives and method of use thereof HSP90AB2P, HSP90AB1, HSP90B1 CYP1A2 2021/4885CPA3 3957/4885FOLH1 1350/4885

“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.