SCHEMBL3814911

SCHEMBL3814911

CCCC(CCC)C(=O)c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.51
ESR2 Q92731 4/20 0.51
PGR P06401 2/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
CA12 O43570 1/20 0.47
AKR1B10 O60218 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
TYR P14679 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
DPP4 P27487 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL3814914 1.00 ESR1 (0.51) ESR1ESR2PGRKDM4EMAPK1
Butane SCHEMBL67951 0.78 ESR1 (0.58) ESR1ESR2PGRKDM4EMAPK1
SCHEMBL3815225 0.78 HDAC1 (0.59) ESR1ESR2KDM4EMAPK1HCAR2
SCHEMBL3815227 0.78 HDAC1 (0.59) ESR1ESR2KDM4EMAPK1HCAR2
SCHEMBL6851909 0.76 KDM4E (0.65) ESR1ESR2PGRKDM4EMAPK1
SCHEMBL10903828 0.76 KDM4E (0.60) ESR1ESR2PGRKDM4EMAPK1
SCHEMBL9889372 0.76 MAPT (0.58) PGRMAPK1ATMHDAC3HDAC4
SCHEMBL3617904 0.76 ESR1 (0.55) ESR1ESR2PGRKDM4EMAPK1
SCHEMBL3617907 0.76 ESR1 (0.55) ESR1ESR2PGRKDM4EMAPK1
SCHEMBL21164580 0.75 KDM4E (0.58) ESR1ESR2PGRKDM4EMAPK1

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
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US disclosed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 US disclosed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 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 (2 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-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 ESR1 3668/4885ESR2 2949/4885PGR 3703/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 ESR1 3773/4885ESR2 2245/4885PGR 4060/4885

“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.