SCHEMBL4235579

SCHEMBL4235579

Cc1ccc[n+](CC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.53
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
GLA P06280 1/20 0.44
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37

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
Bromide SCHEMBL31207551 0.98 GGPS1 (0.51) GGPS1PABPC1KMT2AATMGLA
Hydrochloric Acid SCHEMBL31207622 0.98 GGPS1 (0.51) GGPS1PABPC1KMT2AATMGLA
Bromide SCHEMBL15941512 0.98 GGPS1 (0.51) GGPS1PABPC1KMT2AATMGLA
Trifluoromethanesulfonic Acid SCHEMBL11889602 0.84 GGPS1 (0.48) GGPS1PABPC1KMT2AATMGLA
SCHEMBL4235612 0.80 GGPS1 (0.43) GGPS1PABPC1KMT2AATMGLA
Hydrochloric Acid SCHEMBL1883725 0.79 GGPS1 (0.42) GGPS1PABPC1KMT2AATMLMNA
Bromide SCHEMBL18838890 0.79 KMT2A (0.45) GGPS1PABPC1KMT2AATMGLA
SCHEMBL6114658 0.78 PABPC1 (0.50) GGPS1PABPC1KMT2AATMLMNA
SCHEMBL6114429 0.78 PABPC1 (0.50) GGPS1PABPC1KMT2AATMLMNA
SCHEMBL18609645 0.78 KDM4E (0.53) GGPS1GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9722281-B2 Processes for preparing 1-alkyl-3-alkyl-pyridinium bromide and uses thereof as additives in electrochemical cells BROMINE COMPOUNDS LTD. (IL) 2017-08-01 US disclosed
US-20150372351-A1 PROCESSES FOR PREPARING L-ALKYL-3-ALKYL-PYRIDINIUM BROMIDE AND USES THEREOF AS ADDITIVES IN ELECTROCHEMICAL CELLS BROMINE COMPOUNDS LTD. (IL) 2015-12-24 US disclosed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
EP-1442001-B1 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES MERCK PATENT GMBH (DE) 2008-08-13 EP 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-20150372351-A1 PROCESSES FOR PREPARING L-ALKYL-3-ALKYL-PYRIDINIUM BROMIDE AND USES THEREOF AS ADDITIVES IN ELECTROCHEMICAL CELLS PLP2, PLPBP, AZI2 GGPS1 3994/4885PABPC1 1480/4885KMT2A 971/4885

“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.