SCHEMBL13458401

SCHEMBL13458401

C=CCC(O)/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL15441091 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL13841244 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL15184733 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL7514294 0.82 HTR2A (0.53) CYP1A2CNR2HTR2AMAOB
SCHEMBL1662560 0.79 HTR2A (0.42) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL1662556 0.79 HTR2A (0.42) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL27565236 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL1853494 0.78 CYP1A2 (0.46) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL1853495 0.78 CYP1A2 (0.46) MEN1KMT2AALDH1A1CYP3A4CYP1A2
SCHEMBL1662584 0.76 CYP1A2 (0.46) MEN1KMT2AALDH1A1CYP3A4CYP1A2

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-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
US-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 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 (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 MEN1 2553/4885KMT2A 2272/4885ALDH1A1 21/4885

“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.