SCHEMBL572040

SCHEMBL572040

C/C=C/CCC(=O)CC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.33
RXRA P19793 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
SOAT1 P35610 1/20 0.33
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL572041 1.00 TDP1 (0.39) TDP1ALDH1A1PPARGPPARDPPARA
Monoethanolamine SCHEMBL28484082 0.89 CNR1 (0.33) TDP1ALDH1A1CNR1
SCHEMBL4400514 0.88
SCHEMBL4582063 0.88
SCHEMBL8459286 0.87 SOAT1 (0.41) TDP1ALDH1A1PPARGPPARDPPARA
SCHEMBL8459292 0.87 SOAT1 (0.41) TDP1ALDH1A1PPARGPPARDPPARA
SCHEMBL4553010 0.84 ALDH1A1 (0.50) TDP1ALDH1A1PPARGPPARDPPARA
SCHEMBL4553011 0.84 ALDH1A1 (0.50) TDP1ALDH1A1PPARGPPARDPPARA
SCHEMBL9389879 0.84 TDP1 (0.41) TDP1ALDH1A1PPARGPPARDPPARA
SCHEMBL9389884 0.84 TDP1 (0.41) TDP1ALDH1A1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271570-A Preparation method of organic phosphine-terminated non-conjugated oxygen-enriched fluorescent polymer, and product and application thereof 浙江大学 2024-07-02 CN claimed
CN-115197174-B Binaphthol-based epoxy resin monomer, preparation method thereof and application thereof in preparation of all-bio-based epoxy resin 南京工业大学 2023-09-19 CN claimed
CN-115197174-A Binaphthol-based epoxy resin monomer, preparation method thereof and application thereof in preparation of all-bio-based epoxy resin 南京工业大学 2022-10-18 CN claimed
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-09-15 US claimed
EP-2871952-A1 INSECTICIDAL FORMULATIONS OF MICROCAPSULES Endura S.p.a. (IT) 2015-05-20 EP claimed
WO-2014009269-A1 INSECTICIDAL FORMULATIONS OF MICROCAPSULES ENDURA S.P.A (IT) 2014-01-16 WO claimed
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 WO claimed
EP-2601187-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS Conrig Pharma ApS (DK) 2013-06-12 EP claimed
WO-2012016569-A1 DEUTERATED TANDOSPIRONE DERIVATIVES AS 5-HT1A RECEPTOR AGONISTS CONRIG PHARMA APS (DK) 2012-02-09 WO claimed
EP-1284653-B1 INFRARED THERMOGRAPHY AND TREATMENT OF SEXUAL DYSFUNCTIONS NITROMED INC (US) 2007-11-28 EP claimed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP claimed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP claimed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US claimed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-12195587-B2 Synthesis of a biocompatible, biodegradable, and tunable shape memory polymer triggered at body temperature SHAPE MEMORY POLYMERS INC (CA) 2025-01-14 US disclosed
US-12036078-B2 Oral products and methods for producing the same PolySpectra, Inc. (US) 2024-07-16 US disclosed
US-20020198426-A1 Selective ring-opening cross-metathesis of cycloolefins CYMETECH, LLC 2002-12-26 US disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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 (4 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-20020198426-A1 Selective ring-opening cross-metathesis of cycloolefins KMO, COASY, OXER1 TDP1 4274/4885ALDH1A1 2828/4885PPARG 4630/4885
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF CLCN2, ODC1, KCNN4 TDP1 3682/4885ALDH1A1 685/4885PPARG 3653/4885
US-12036078-B2 Oral products and methods for producing the same CROCC, RPAP1, RUVBL1 TDP1 1727/4885ALDH1A1 4171/4885PPARG 970/4885
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 TDP1 580/4885ALDH1A1 507/4885PPARG 3820/4885

“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.