SCHEMBL4361607

SCHEMBL4361607

CCCC[n+]1cc[nH]c1CCC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RGS12 O14924 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
RAB9A P51151 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 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
Hydrochloric Acid SCHEMBL4370736 0.98 KDM4E (0.30) MEN1KMT2AKDM4ERGS12NPC1
SCHEMBL4360798 0.94 KMT2A (0.37) MEN1KMT2AKDM4ERGS12NPC1
SCHEMBL5285867 0.93 KMT2A (0.40) MEN1KMT2AKDM4ERGS12NPC1
Hydrochloric Acid SCHEMBL4231691 0.93 SMN1; SMN2 (0.36) MEN1KMT2AKDM4ERGS12NPC1
SCHEMBL4366351 0.92 HRH3 (0.32) MEN1KMT2AKDM4ERGS12NPC1
Hydrochloric Acid SCHEMBL4362637 0.91 SMN1; SMN2 (0.39) MEN1KMT2AKDM4ERGS12NPC1
Bromide SCHEMBL4479557 0.91 HRH3 (0.32) MEN1KMT2AKDM4ERGS12NPC1
Water SCHEMBL28178857 0.91 HRH3 (0.32) MEN1KMT2AKDM4ERGS12NPC1
Hydrochloric Acid SCHEMBL4370726 0.91 HRH3 (0.32) MEN1KMT2AKDM4ERGS12NPC1
SCHEMBL4230810 0.89 GPR84 (0.38) MEN1KMT2AKDM4ERGS12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO claimed
US-10059598-B2 Method for preparing a composition comprising functionalised silico/germano-metal particles and composition obtained CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-08-28 US disclosed
EP-3010857-B1 METHOD FOR PREPARING A COMPOSITION COMPRISING FUNCTIONALISED SILICO/GERMANO-METAL PARTICLES AND COMPOSITION OBTAINED CENTRE NAT RECH SCIENT (FR) 2018-05-02 EP disclosed
US-9598342-B2 Production of acetic acid with enhanced catalyst stability CELANESE INTERNATIONAL CORPORATION (US) 2017-03-21 US disclosed
US-20160137514-A1 METHOD FOR PREPARING A COMPOSITION COMPRISING FUNCTIONALISED SILICO/GERMANO-METAL PARTICLES AND COMPOSITION OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-05-19 US disclosed
EP-3010857-A1 METHOD FOR PREPARING A COMPOSITION COMPRISING FUNCTIONALISED SILICO/GERMANO-METAL PARTICLES AND COMPOSITION OBTAINED Centre National de la Recherche Scientifique (CNRS) (FR) 2016-04-27 EP disclosed
WO-2014202920-A1 METHOD FOR PREPARING A COMPOSITION COMPRISING FUNCTIONALISED SILICO/GERMANO-METAL PARTICLES AND COMPOSITION OBTAINED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-12-24 WO disclosed
US-20140309455-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY CELANESE INTERNATIONAL CORPORATION (US) 2014-10-16 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 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 (1 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-20140309455-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY SSTR2, SP1, ADH1C MEN1 897/4885KMT2A 1282/4885KDM4E 4462/4885

“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.