SCHEMBL3242284

SCHEMBL3242284

C=CC(C)(C)C(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.48
RIPK1 Q13546 1/20 0.46
SLC6A4 P31645 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL27846503 0.79 AOC3 (0.48) AOC3RIPK1SLC6A4KDM4ELMNA
SCHEMBL28075636 0.79 AOC3 (0.48) AOC3RIPK1SLC6A4KDM4ELMNA
SCHEMBL9258177 0.75 DPP4 (0.41) AOC3RIPK1KDM4EALDH1A1LMNA
SCHEMBL477440 0.75 AOC3 (0.57) AOC3RIPK1SLC6A4KDM4EALDH1A1
SCHEMBL9334567 0.75 AOC3 (0.57) AOC3RIPK1SLC6A4KDM4EALDH1A1
SCHEMBL112589 0.75 AOC3 (0.57) AOC3RIPK1SLC6A4KDM4EALDH1A1
SCHEMBL6464699 0.75 AOC3 (0.57) AOC3RIPK1SLC6A4KDM4EALDH1A1
SCHEMBL22030767 0.75 ATM (0.45) RIPK1ALDH1A1LMNAHPGDCYP3A4
SCHEMBL30713721 0.75 RIPK1 (0.42) AOC3RIPK1SLC6A4ALDH1A1LMNA
SCHEMBL10957465 0.75 RIPK1 (0.46) AOC3RIPK1SLC6A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
US-5490952-A REDUCING COMPLEX OF COPPER HALIDE OR CYANIDE AND ALKALI HALIDE WITH ALKALI SALT OF AROMATIC ANION; FOR SYNTHESIZING HIGHLY FUNCTIONAL ORGANIC COMPOUNDS UNIVERSITY OF NEBRASKA (US) 1996-02-13 US disclosed
WO-1992019623-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1992-11-12 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 AOC3 73/4885RIPK1 3950/4885SLC6A4 1289/4885

“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.