SCHEMBL4366351

SCHEMBL4366351

CCCCc1[nH]cc[n+]1CCCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
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

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
Water SCHEMBL28178857 0.98 HRH3 (0.32) HRH3MEN1KMT2AKDM4ERGS12
Bromide SCHEMBL4479557 0.98 HRH3 (0.32) HRH3MEN1KMT2AKDM4ERGS12
Hydrochloric Acid SCHEMBL4370726 0.98 HRH3 (0.32) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL4364560 0.94 KMT2A (0.37) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL4225934 0.93 GPR84 (0.38) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL19461099 0.93 KMT2A (0.40) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL29560722 0.93 KMT2A (0.40) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL16163774 0.93 GPR84 (0.38) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL4230810 0.93 GPR84 (0.38) HRH3MEN1KMT2AKDM4ERGS12
SCHEMBL5287061 0.93 KMT2A (0.40) HRH3MEN1KMT2AKDM4ERGS12

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 12 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-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2019-01-01 US disclosed
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES MEXICANO INST PETROL (MX) 2017-11-16 US disclosed
US-20170313949-A1 DEHYDRATING AND DESALTING COMPOSITIONS OF CRUDE OILS, USING TRIBLOCK COPOLYMERS ALPHA,OMEGA-BIFUNCTIONALIZED WITH AMINES MEXICANO INST PETROL (MX) 2017-11-02 US disclosed
US-9752084-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2017-09-05 US disclosed
US-9745521-B2 Dehydrating and desalting compositions of crude oils, using triblock copolymers α,ω-bifunctionalized with amines INSTITUTO MEXICANO DEL PETROLEO (MX) 2017-08-29 US disclosed
WO-2015047647-A1 ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS UOP LLC (US) 2015-04-02 WO disclosed
US-20150094486-A1 ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS UOP LLC (US) 2015-04-02 US disclosed
US-20140238901-A1 DEHYDRATING AND DESALTING COMPOSITIONS OF CRUDE OILS, USING TRIBLOCK COPOLYMERS ALPHA,OMEGA-BIFUNCTIONALIZED WITH AMINES INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-08-28 US disclosed
US-20140238900-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-08-28 US disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 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 (2 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-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes DEGS1, AQP1, AQP3 HRH3 2288/4885MEN1 4493/4885KMT2A 3805/4885
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES DEGS1, AQP1, AQP3 HRH3 2288/4885MEN1 4493/4885KMT2A 3805/4885

“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.