SCHEMBL417149

SCHEMBL417149

CC(CC=O)OC(=O)CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9451858 0.83 MEN1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL30042216 0.79 MGAM (0.43)
SCHEMBL995740 0.77
SCHEMBL821565 0.77
SCHEMBL9936149 0.76 LMNA (0.52)
SCHEMBL1921339 0.76
SCHEMBL4446358 0.75 LMNA (0.59)
SCHEMBL23754251 0.75 CYP19A1 (0.52) CYP19A1MMP1MMP2MMP3MMP9
SCHEMBL5439857 0.75
SCHEMBL4453538 0.74 LMNA (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-04-14 US disclosed
EP-2404891-B1 PREPARATION METHOD OF ACYLBENZENES DSM IP ASSETS BV (NL) 2015-09-02 EP disclosed
CN-104725226-A Preparation method of phenone DSM IP ASSETS BV 2015-06-24 CN disclosed
CN-102341362-B Method for preparing acylbenzenes DSM IP ASSETS BV 2015-03-11 CN disclosed
WO-2014186631-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-11-20 WO disclosed
US-8642800-B2 Preparation method of acylbenzenes DSM IP ASSETS B.V. (NL) 2014-02-04 US disclosed
CN-102341362-A Method for preparing acylbenzenes DSM IP ASSETS BV 2012-02-01 CN 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
US-20070207992-A1 Geldanamycin derivatives and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-09-06 US disclosed
WO-2007098229-A2 GELDANAMYCIN DERIVATIVES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2007-08-30 WO disclosed
US-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-20060205816-A1 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-14 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 (4 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-20060205816-A1 Chiral lactones HSD11B2, HSD11B1, HSD17B2 CYP19A1 30/4885MMP1 4689/4885MMP2 2602/4885
US-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX ZFR, ZDHHC7, ORC3 CYP19A1 371/4885MMP1 4137/4885MMP2 4530/4885
US-20070207992-A1 Geldanamycin derivatives and method of use thereof HSP90AB2P, HSP90AB1, HSP90B1 CYP19A1 3944/4885MMP1 3951/4885MMP2 963/4885
US-20120022284-A1 PREPARATION METHOD OF ACYLBENZENES ACACB, SDHB, TET2 CYP19A1 203/4885MMP1 4000/4885MMP2 3550/4885

“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.