SCHEMBL4570866

SCHEMBL4570866

CCN(C)C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.48
ADH1C P00326 3/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 1/20 0.40
PHGDH O43175 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ABCB11 O95342 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL170201 1.00 ADH1A (0.48) ADH1AADH1CHRH3HRH4KDM4E
SCHEMBL20197642 1.00 ADH1A (0.48) ADH1AADH1CHRH3HRH4KDM4E
SCHEMBL21180049 1.00 ADH1A (0.48) ADH1AADH1CHRH3HRH4KDM4E
SCHEMBL5703290 1.00 ADH1A (0.48) ADH1AADH1CHRH3HRH4KDM4E
Water SCHEMBL28842264 0.97 ADH1A (0.46) ADH1AADH1CHRH3HRH4KDM4E
SCHEMBL3373676 0.97
SCHEMBL5050535 0.94
SCHEMBL4757265 0.94
SCHEMBL18743263 0.87 ADH1A (0.39) ADH1AADH1CHRH3HRH4KDM4E
SCHEMBL4756581 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-07-31 US disclosed
CN-1433339-A New catalyst system and application thereof BASELL POLYROPYLEN GMBH (DE) 2003-07-30 CN disclosed
CN-1427842-A Chemical products suited for use as co-catalysts, method for preparation thereof and their use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2003-07-02 CN disclosed
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
EP-1280600-A2 SUPPORTED CATALYST SYSTEM COMPRISING A METALLOCENE, A LEWIS-BASE AND AN ORGANODEMENTAL COMPOUND OF MAIN GROUP III, AND ITS USE Basell Polypropylen GmbH (DE) 2003-02-05 EP disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 US disclosed
EP-1250363-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2002-10-23 EP disclosed
WO-2001090112-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-11-29 WO disclosed
WO-2001047635-A2 SUPPORTED CATALYST SYSTEM CONTAINING A METALLOCENE, A LEWIS BASE AND AN ELEMENTALLY ORGANIC COMPOUND OF MAIN GROUP III AND THE USE THEREOF BASELL POLYPROPYLEN GMBH (DE) 2001-07-05 WO disclosed
WO-2001048035-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 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 (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-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins CBR1, COX6C, CBR3 ADH1A 165/4885ADH1C 20/4885HRH3 1285/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 ADH1A 523/4885ADH1C 107/4885HRH3 1185/4885
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS AR, SHBG, CYP17A1 ADH1A 403/4885ADH1C 924/4885HRH3 1165/4885

“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.