SCHEMBL3885338

SCHEMBL3885338

O=[C]CCCCCCCCCCCCCCCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM7A Q6ZMT4 1/20 0.35
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3877781 1.00 SIGMAR1 (0.38) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL8944630 0.90
SCHEMBL7458143 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL7452816 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL17027405 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL7457427 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL7458663 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL98103 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL7457536 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A
SCHEMBL7453118 0.89 SIGMAR1 (0.54) SIGMAR1KDM5AKDM4CPHF8KDM2A

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 SIGMAR1 86/4885KDM5A 4828/4885KDM4C 4843/4885
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 SIGMAR1 247/4885KDM5A 4588/4885KDM4C 3740/4885
US-20040018956-A1 Aporphine esters and their use in therapy PRLHR, LPXN, NPSR1 SIGMAR1 86/4885KDM5A 4828/4885KDM4C 4843/4885
US-20050096469-A1 Mono-ester and asymmetrically substatuted di-ester pro-drugs of dopamide d1 receptor agonists DRD2, DRD1, DRD4 SIGMAR1 41/4885KDM5A 2817/4885KDM4C 3091/4885
US-20080119504-A1 NEW APORPHINE ESTERS AND THEIR USE IN THERAPY PRLHR, LPXN, HTR1A SIGMAR1 61/4885KDM5A 4759/4885KDM4C 4808/4885

“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.