SCHEMBL3885339

SCHEMBL3885339

CCCCCCCCCCCCCCCC(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4911800 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL6571414 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL14215972 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL14215879 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL20382507 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL6141447 0.98 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL2124572 0.91 NAAA (0.55) CES2CES1GPR84PPARGPPARD
SCHEMBL2126939 0.91 NAAA (0.55) CES2CES1GPR84PPARGPPARD
SCHEMBL2126800 0.91 NAAA (0.55) CES2CES1GPR84PPARGPPARD
SCHEMBL2126627 0.91 NAAA (0.55) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
EP-2010541-A2 TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE Purdue Research Foundation (US) 2009-01-07 EP disclosed
EP-1480647-B1 MONO-ESTER AND ASYMMETRICALLY SUBSTITUTED DI-ESTER PRO-DRUGS OF THE DOPAMINE D1 RECEPTOR AGONISTS DARPHARMA INC (US) 2008-09-03 EP disclosed
US-20080119504-A1 NEW APORPHINE ESTERS AND THEIR USE IN THERAPY AXON BIOCHEMICALS B.V. (NL) 2008-05-22 US disclosed
US-7332503-B2 Aporphine esters and their use in therapy AXON BIOCHEMICALS B.V. (NL) 2008-02-19 US disclosed
WO-2007098462-A2 TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2007-08-30 WO disclosed
US-7238705-B2 Aporphine esters and their use in therapy AXON BIOCHEMICALS B.V. (NL) 2007-07-03 US disclosed
US-7220754-B2 Mono-ester and asymmetrically substatuted di-ester pro-drugs of dopamide D1 receptor agonists DARPHARMA, INC. (US) 2007-05-22 US disclosed
CN-1242991-C Aporphine esters and their therapeutic use AXON BIOCHEMICALS BV (NL) 2006-02-22 CN disclosed
EP-1480647-A4 MONO-ESTER AND ASYMMETRICALLY SUBSTITUTED DI-ESTER PRO-DRUGS OF THE DOPAMINE D1 RECEPTOR AGONISTS DARPHARMA INC (US) 2005-07-13 EP disclosed
US-20050143408-A1 Aporphine esters and their use in therapy AXON BIOCHEMICALS B.V. (NL) 2005-06-30 US disclosed
US-20050096469-A1 Mono-ester and asymmetrically substatuted di-ester pro-drugs of dopamide d1 receptor agonists AXON BIOCHEMICALS B.V. (NL) 2005-05-05 US disclosed
EP-1480647-A1 MONO-ESTER AND ASYMMETRICALLY SUBSTITUTED DI-ESTER PRO-DRUGS OF THE DOPAMINE D1 RECEPTOR AGONISTS Darpharma, INC. (US) 2004-12-01 EP disclosed
US-20040018956-A1 Aporphine esters and their use in therapy AXON BIOCHEMICALS B.V. (NL) 2004-01-29 US disclosed
CN-1447792-A Aporphine esters and their use in therapy AXON BIOCHEMICALS BV (NL) 2003-10-08 CN disclosed
WO-2003070245-A1 MONO-ESTER AND ASYMMETRICALLY SUBSTITUTED DI-ESTER PRO-DRUGS OF THE DOPAMINE D1 RECEPTOR AGONISTS DARPHARMA, INC. (US) 2003-08-28 WO disclosed
EP-1309553-A1 NEW APORPHINE ESTERS AND THEIR USE IN THERAPY Axon Biochemicals B.V. (NL) 2003-05-14 EP disclosed
WO-2002014279-A1 NEW APORPHINE ESTERS AND THEIR USE IN THERAPY AXON BIOCHEMICALS B.V. (NL) 2002-02-21 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 (5 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-20050143408-A1 Aporphine esters and their use in therapy PRLHR, LPXN, NPSR1 CES2 143/4885CES1 225/4885GPR84 752/4885
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 CES2 246/4885CES1 1801/4885GPR84 229/4885
US-20040018956-A1 Aporphine esters and their use in therapy PRLHR, LPXN, NPSR1 CES2 143/4885CES1 225/4885GPR84 752/4885
US-20050096469-A1 Mono-ester and asymmetrically substatuted di-ester pro-drugs of dopamide d1 receptor agonists DRD2, DRD1, DRD4 CES2 461/4885CES1 1363/4885GPR84 22/4885
US-20080119504-A1 NEW APORPHINE ESTERS AND THEIR USE IN THERAPY PRLHR, LPXN, HTR1A CES2 147/4885CES1 257/4885GPR84 756/4885

“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.