SCHEMBL3214629

SCHEMBL3214629

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)c1cc(C)cc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GPX4 P36969 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
CNR2 P34972 6/20 0.41
DNM1 Q05193 3/20 0.39
CNR1 P21554 3/20 0.38
MCHR1 Q99705 1/20 0.38
KCNH2 Q12809 2/20 0.37
CRHR1 P34998 2/20 0.36
PLA2G2A P14555 1/20 0.36
BLM P54132 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11934265 0.91 CRHR1 (0.41) ALDH1A1CNR2CRHR1HTT
SCHEMBL7739116 0.87 PTGS2 (0.46) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL2154654 0.84 DNM1 (0.42) DNM1KCNH2PLA2G2ABLMRXRA
SCHEMBL7998276 0.82 GPR84 (0.44) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL15232530 0.81 ALDH1A1 (0.58) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL28582298 0.81 ALDH1A1 (0.58) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL28057991 0.81 ALDH1A1 (0.58) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL17312248 0.81 ALDH1A1 (0.58) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL14994805 0.81 ALDH1A1 (0.58) NPC1ALDH1A1TP53GPX4RAB9A
SCHEMBL22321039 0.79 CNR2 (0.51) NPC1ALDH1A1TP53GPX4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof CHEMETALL GMBH (DE) 2009-03-05 US claimed
US-8222457-B2 Coordination compounds of the boron group CHEMETALL GMBH (DE) 2012-07-17 US disclosed
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2010-02-04 US disclosed
WO-2009027541-A2 OXYGEN COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2009-03-05 WO disclosed
US-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof CHEMETALL GMBH (DE) 2009-03-05 US disclosed
EP-1934235-A1 BORATE SALTS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF Chemetall GmbH (DE) 2008-06-25 EP disclosed
WO-2007042500-A1 BORATE SALTS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF CHEMETALL GMBH (DE) 2007-04-19 WO disclosed
US-7169863-B2 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2007-01-30 US disclosed
US-20040162215-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom THE DOW CHEMICAL COMPANY 2004-08-19 US disclosed
EP-1412365-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-28 EP disclosed
US-6727329-B2 USEFUL IN SOLUTION, GAS PHASE, SLURRY AND CATIONIC POLYMERIZATION OF OLEFINS DOW GLOBAL TECHNOLOGY INC. 2004-04-27 US disclosed
US-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-02-13 US disclosed
WO-2003010171-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES, INC. (US) 2003-02-06 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-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof SLC6A12, TST, MPST NPC1 1719/4885ALDH1A1 1974/4885TP53 3441/4885
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP BICRA, SOD1, NBAS NPC1 1347/4885ALDH1A1 4674/4885TP53 3188/4885
US-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom SSB, NCF1, CD79B NPC1 3151/4885ALDH1A1 602/4885TP53 2686/4885

“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.