SCHEMBL2463315

SCHEMBL2463315

[CH2]c1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
CYP2A6 P11509 7/20 0.40
CYP1A2 P05177 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
GRIN2D O15399 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
SCHEMBL536732 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL36452 0.92 CYP2A6 (0.48) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27905829 0.89 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27838385 0.89 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL1178667 0.85 CYP2A6 (0.37) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL28217476 0.85 ALOX5 (0.40) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27922290 0.82 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL21644746 0.82 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
Benz(B)Anthracene SCHEMBL3474922 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
Benz(B)Anthracene SCHEMBL22352910 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC,. 2011-09-22 US claimed
WO-2010068371-A2 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO claimed
US-8580998-B2 Preparation of alkenes by mild thermolysis of sulfoxides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-11-12 US disclosed
US-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC,. 2011-09-22 US disclosed
WO-2010068371-A2 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-06-17 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-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES PTMS, DNPEP, SRMS ALDH1A1 783/4885HSD17B10 1323/4885TDP1 1803/4885

“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.