SCHEMBL1019327

SCHEMBL1019327

C[C](CC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
ALOX15 P16050 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38

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
SCHEMBL4725133 0.87 ALDH1A1 (0.44) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL28330062 0.80 TAAR1 (0.54) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL295450 0.80 POLB (0.46) HTTCYP2C19HIF1AALOX15HDAC3
SCHEMBL1024978 0.80 TAAR1 (0.45) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL14921 0.79 TAAR1 (0.48) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL12936794 0.78 HIF1A (0.52) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL10912607 0.77 ALDH1A1 (0.43) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL1850 0.77 CYP2C19 (0.55) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL28864314 0.77 TAAR1 (0.50) TAAR1ALDH1A1HTTCYP2C19HIF1A
SCHEMBL6810316 0.76 RXRB (0.49) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450438-B2 High temperature polyethylene solution polymerization process DOW GLOBAL TECHNOLOGIES, LLC (US) 2013-05-28 US claimed
US-8304477-B2 Liquid oxyalkylene bridged bis- and Tris-phosphite ester mixtures BASF SE (DE) 2012-11-06 US disclosed
EP-2271219-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-20100240810-A1 Liquid Oxyalkylene Bridged Bis- andTris-Phosphite Ester Mixtures KING ROSWELL E 2010-09-23 US disclosed
WO-2010043319-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO disclosed
US-7642320-B2 Polymer additives with improved permanence and surface affinity CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20090041688-A1 Sunless tanning compositions comprising certain substituted polyamine compounds and methods of use DUEVA-KOGANOV OLGA 2009-02-12 US disclosed
US-20080027182-A1 Polymer additives with improved permanence and surface affinity MCNAMARA JOHN J 2008-01-31 US 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-20100240810-A1 Liquid Oxyalkylene Bridged Bis- andTris-Phosphite Ester Mixtures EPB41, PHOSPHO1, TNS4 TAAR1 519/4885ALDH1A1 4357/4885HTT 4337/4885
US-20090041688-A1 Sunless tanning compositions comprising certain substituted polyamine compounds and methods of use SRM, TYR, XPA TAAR1 1436/4885ALDH1A1 2198/4885HTT 684/4885

“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.