SCHEMBL1695435

SCHEMBL1695435

CCC(=O)OC1=CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
GSTP1 P09211 1/20 0.39
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CTSK P43235 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ELANE P08246 1/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL1695482 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL11615936 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL1695487 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL7622874 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL7622870 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL1695485 0.98 ESR1 (0.40) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL1695501 0.94 HIF1A (0.42) ESR1HIF1ASMN1; SMN2RECQLKMT2A
SCHEMBL1695494 0.86 ALOX15 (0.39) SMN1; SMN2KMT2AGSTP1RAB9AALDH1A1
SCHEMBL3775177 0.85 GSTP1 (0.37) SMN1; SMN2KMT2AGSTP1RAB9AALDH1A1
SCHEMBL1695767 0.84 ALOX15 (0.38) ESR1SMN1; SMN2KMT2AGSTP1RAB9A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582453-B1 TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS ECOSYNTH NV (BE) 2016-12-28 EP disclosed
US-9309188-B2 Method for allylating and vinylating aryl, heteroaryl, alkyl, and alkene halogenides using transition metal catalysis Saitigo GmbH (DE) 2016-04-12 US disclosed
US-8865931-B2 Transesterification process using mixed salt acetylacetonates catalysts ECOSYNTH BVBA (BE) 2014-10-21 US disclosed
US-20130184485-A1 Method for Allylating and Vinylating Aryl, Heteroaryl, Alkyl, and Alkene Halogenides Using Transition Metal Catalysis SALTIGO GMBH (DE) 2013-07-18 US disclosed
CN-103140287-A Transesterification process using mixed salt acetylacetonates catalysts ECOSYNTH BVBA 2013-06-05 CN disclosed
EP-2582453-A2 TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS Ecosynth BVBA (BE) 2013-04-24 EP disclosed
US-20130090492-A1 TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS ECOSYNTH BVBA (BE) 2013-04-11 US disclosed
WO-2011157645-A2 TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS ECOSYNTH BVBA (BE) 2011-12-22 WO disclosed
US-20100076217-A1 ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION SHOWA DENKO K.K. (JP) 2010-03-25 US disclosed
EP-2099563-A1 ACYLOXYLATION CATALYST AND PROCESS FOR ITS PRODUCTION Showa Denko K.K. (JP) 2009-09-16 EP disclosed
WO-2006084892-A2 PROCESS FOR THE PREPARATION OF A DICARBOXYLIC ACID SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-08-17 WO disclosed
US-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed
EP-0428343-B1 A process for producing an alpha,beta-unsaturated carbonyl compound NIPPON ZEON CO (JP) 1994-05-04 EP disclosed
US-5118863-A Process for producing an α,β-unsaturated carbonyl compound NIPPON ZEON CO., LTD. (JP) 1992-06-02 US disclosed
EP-0428343-A1 A process for producing an alpha,beta-unsaturated carbonyl compound NIPPON ZEON CO., LTD. (JP) 1991-05-22 EP disclosed
US-4112235-A Transesterification of carboxylic acids UOP INC. (US) 1978-09-05 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 (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-20130090492-A1 TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS ACACA, ACACB, ACSL6 ESR1 1323/4885HIF1A 3621/4885SMN1; SMN2 3991/4885
US-20130184485-A1 Method for Allylating and Vinylating Aryl, Heteroaryl, Alkyl, and Alkene Halogenides Using Transition Metal Catalysis VRK2, VRK1, GRK1 ESR1 3118/4885HIF1A 2870/4885SMN1; SMN2 3892/4885

“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.