SCHEMBL6168418

SCHEMBL6168418

Cc1ccc(C)c(-c2c(C)[c]ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RECQL P46063 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL8064215 0.85 MAPT (0.37) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL15453986 0.77 ALDH1A1 (0.34) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL10987049 0.74 RAPGEF4 (0.31) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL3992773 0.74 ACHE (0.35) ALDH1A1TDP1HPGDKDM4EHSD17B10
SCHEMBL6612921 0.73 ALDH1A1 (0.34) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL4429990 0.73 ELANE (0.38) ALDH1A1TDP1HPGDKDM4EHSD17B10
SCHEMBL699897 0.73 ALDH1A1 (0.46) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL4553496 0.72 ALDH1A1 (0.39) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL2525468 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7455159 0.72 RAB9A (0.41) ALDH1A1HPGDHSD17B10SMN1; SMN2RAB9A

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-8952102-B2 Alkyl ether compositions and methods of use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-02-10 US claimed
US-20140288332-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE CRESTLINE DIRECT FINANCE, L.P. 2014-09-25 US claimed
US-8779070-B2 Alkyl ether compositions and methods of use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-07-15 US claimed
WO-2014021844-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-02-06 WO claimed
US-20140039214-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-02-06 US claimed
US-8952102-B2 Alkyl ether compositions and methods of use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-02-10 US disclosed
US-20140288332-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE CRESTLINE DIRECT FINANCE, L.P. 2014-09-25 US disclosed
US-8779070-B2 Alkyl ether compositions and methods of use EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-07-15 US disclosed
WO-2014021844-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-02-06 WO disclosed
US-20140039214-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-02-06 US disclosed
EP-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 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-20140288332-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE MOGAT2, ARCN1, COPE ALDH1A1 1821/4885TDP1 2566/4885HPGD 2953/4885
US-20140039214-A1 ALKYL ETHER COMPOSITIONS AND METHODS OF USE MOGAT2, ARCN1, COPE ALDH1A1 1821/4885TDP1 2566/4885HPGD 2953/4885

“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.