SCHEMBL1619971

SCHEMBL1619971

CC(C)(C)CC(C)(C)c1cccc(-n2nc3c(n2)CCCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
SHBG P04278 1/20 0.33
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL1618677 0.81 KDM4E (0.46) HTTSHBGCYP3A4HIF1AALDH1A1
SCHEMBL18326716 0.71 ALDH1A1 (0.34) SHBGCYP3A4HIF1AALDH1A1CYP2C9
SCHEMBL1619575 0.68 HTT (0.62) HTTALDH1A1HSD17B10PKMPTGS1
SCHEMBL28953938 0.67 PARP1 (0.31)
SCHEMBL4398146 0.66 KDM4E (0.36) HTTSHBGALDH1A1CYP2C9HSD17B10
SCHEMBL12717073 0.66 HTT (0.61) HTTALDH1A1HSD17B10PKMPTGS1
SCHEMBL22271031 0.66 KDM4E (0.41) HTTSHBGCYP3A4ALDH1A1CYP2C9
SCHEMBL28122110 0.65 SHBG (0.45) SHBGCYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL12717070 0.64 HTT (0.68) HTTALDH1A1HSD17B10PKMPTGS1
SCHEMBL7655378 0.64 SHBG (0.42) HTTSHBGCYP3A4HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-7928242-B2 Electroluminescent metal complexes with triazoles BASF SE (DE) 2011-04-19 US disclosed
US-7928242-B2 Electroluminescent metal complexes with triazoles BASF SE (DE) 2011-04-19 US disclosed
US-7928242-B2 Electroluminescent metal complexes with triazoles BASF SE (DE) 2011-04-19 US disclosed
US-20090062560-A1 Electroluminescent Metal Complexes With Triazoles CIBA CORPORATION (US) 2009-03-05 US disclosed
US-20090062560-A1 Electroluminescent Metal Complexes With Triazoles CIBA CORPORATION (US) 2009-03-05 US disclosed
US-20090062560-A1 Electroluminescent Metal Complexes With Triazoles CIBA CORPORATION (US) 2009-03-05 US disclosed
EP-1966343-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES Ciba SC Holding AG (CH) 2008-09-10 EP disclosed
WO-2007074093-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES CIBA HOLDING INC. (CH) 2007-07-05 WO disclosed
WO-2007074093-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES CIBA HOLDING INC. (CH) 2007-07-05 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 (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-20090062560-A1 Electroluminescent Metal Complexes With Triazoles OCIAD1, OCIAD2, CCND3 HTT 4757/4885SHBG 1927/4885CYP3A4 195/4885

“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.