SCHEMBL462586

SCHEMBL462586

CC(=O)OCCC(CCc1ccccc1)OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.58
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7279889 0.91 MMP12 (0.68) MMP12ALDH1A1TSHRSMN1; SMN2
SCHEMBL27556300 0.81 ALDH1A1 (0.51) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL6559718 0.81 ALDH1A1 (0.51) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL11394897 0.81 MMP12 (0.69) MMP12ALDH1A1TSHRSMN1; SMN2
SCHEMBL4725100 0.81 MMP12 (0.61) MMP12ALDH1A1TSHRSMN1; SMN2
SCHEMBL14764231 0.81 ALDH1A1 (0.47) MMP12ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL4351183 0.78 ALDH1A1 (0.64) MMP12ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL111422 0.78 ALDH1A1 (0.64) MMP12ALDH1A1TDP1TSHRSMN1; SMN2
Benzene SCHEMBL19304565 0.78 ALDH1A1 (0.64) MMP12ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL13825187 0.78 ALOX15 (0.44) ALDH1A1TDP1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404891-B1 PREPARATION METHOD OF ACYLBENZENES DSM IP ASSETS BV (NL) 2015-09-02 EP disclosed
US-8642800-B2 Preparation method of acylbenzenes DSM IP ASSETS B.V. (NL) 2014-02-04 US disclosed
US-20120022284-A1 PREPARATION METHOD OF ACYLBENZENES DSM IP ASSETS B.V. (NL) 2012-01-26 US disclosed
EP-2404891-A1 PREPARATION METHOD OF ACYLBENZENES DSM IP Assets B.V. (NL) 2012-01-11 EP 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-20120022284-A1 PREPARATION METHOD OF ACYLBENZENES ACACB, SDHB, TET2 MMP12 2525/4885ALDH1A1 1535/4885TDP1 4854/4885

“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.