SCHEMBL3246306

SCHEMBL3246306

C=C(c1ccccc1)C(C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ELANE P08246 2/20 0.42

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
SCHEMBL3446600 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNAMAPTHDAC3
SCHEMBL11798431 0.78 MAPT (0.45) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL14642986 0.76 MAPT (0.44) ALDH1A1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL24863627 0.76 TSHR (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL14616575 0.75 LMNA (0.42) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
Benzoic Acid SCHEMBL9760165 0.73 TSHR (0.56) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL28452011 0.73 TSHR (0.43) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL3383699 0.72 SMN1; SMN2 (0.59) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL12922990 0.72 TSHR (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT
SCHEMBL5986325 0.72 TSHR (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MAPT

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 2 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
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 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 ALDH1A1 21/4885CYP3A4 37/4885LMNA 4303/4885

“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.