Ethane

Ethane

SCHEMBL4326322

BrCCCCOc1ccc2c(c1)CCC2.CC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TSHR P16473 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4331486 0.97 SMN1; SMN2 (0.56) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL9796002 0.92 SMN1; SMN2 (0.57) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL29825051 0.86 SMN1; SMN2 (0.56) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL22692759 0.83 KDM4E (0.57) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL15625501 0.83 KDM4E (0.60) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL14369267 0.82 KDM4E (0.56) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL27829035 0.80 SMN1; SMN2 (0.60) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL22692730 0.80 KDM4E (0.54) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL15625383 0.80 KDM4E (0.56) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL23222346 0.80 SMN1; SMN2 (0.56) POLBKDM4ESMN1; SMN2ALOX15ALDH1A1

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
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 EP disclosed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 US disclosed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 US disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 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 (4 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-20060229317-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2141/4885KDM4E 3075/4885SMN1; SMN2 2108/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A POLB 2141/4885KDM4E 3075/4885SMN1; SMN2 2108/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A POLB 2141/4885KDM4E 3075/4885SMN1; SMN2 2108/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2141/4885KDM4E 3075/4885SMN1; SMN2 2108/4885

“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.