SCHEMBL4386500

SCHEMBL4386500

CC1(CO)OC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM1A O60341 5/20 0.43
PTGS2 P35354 1/20 0.42
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
ABCB1 P08183 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4089888 1.00 ALDH1A1 (0.46) ALDH1A1KDM1APTGS2MAOAMAOB
SCHEMBL28887354 1.00 ALDH1A1 (0.46) ALDH1A1KDM1APTGS2MAOAMAOB
SCHEMBL4329150 0.78 KDM1A (0.47) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL11424700 0.78 MAOA (0.44) KDM1AMAOAMAOBCHRM2CHRM4
SCHEMBL10515985 0.74 CHRNA7 (0.44) ALDH1A1KDM1APTGS2MAOAMAOB
SCHEMBL5955814 0.73 KDM1A (0.43) ALDH1A1KDM1AMAOAMAOBCHRM2
SCHEMBL17660056 0.73 KDM1A (0.43) ALDH1A1KDM1AMAOAMAOBCHRM2
SCHEMBL3972334 0.73 KDM1A (0.43) ALDH1A1KDM1AMAOAMAOBCHRM2
SCHEMBL8993540 0.71 PTGS2 (0.45) ALDH1A1KDM1APTGS2MAOAMAOB
SCHEMBL11003541 0.71 PTGS2 (0.45) ALDH1A1KDM1APTGS2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
WO-2004111092-A1 MODIFIED ALGINIC ACID OR ALGINIC ACID DERIVATIVES AND THERMOSETTING ANTI-REFLECTIVE COMPOSITIONS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (US) 2004-12-23 WO claimed
US-20040253532-A1 Modified alginic acid of alginic acid derivatives and thermosetting anti-reflective compositions thereof MERCK PATENT GMBH (DE) 2004-12-16 US claimed
CN-111004225-A Novel piperazine compound and preparation method and application thereof 兰州大学 2020-04-14 CN disclosed
US-9192926-B2 Method for enhancing heterogeneous asymmetric selectivity and catalytic activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2015-11-24 US disclosed
US-20120322647-A1 METHOD FOR ENHANCING HETEROGENEOUS ASYMMETRIC SELECTIVITY AND CATALYTIC ACTIVITY BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2012-12-20 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
EP-0605677-B1 SILICON OR SILICA SUBSTRATE WITH A MODIFIED SURFACE AND PROCESS FOR PRODUCING THE SAME OWENS CORNING FIBERGLASS CORP (US) 1998-06-17 EP disclosed
EP-0454463-B1 Process for producing epoxyalcohols of high optical purity ARCO CHEM TECH (US) 1997-08-13 EP disclosed
EP-0422897-B1 Recovery of water-insoluble epoxy alcohols ARCO CHEM TECH (US) 1994-06-22 EP disclosed
WO-1994002425-A2 SILICON OR SILICA SUBSTRATE WITH A MODIFIED SURFACE, PROCESS FOR PRODUCING THE SAME, NEW ORTHOESTERS AND PROCESS FOR PRODUCING THE SAME GURIT-ESSEX AG (CH) 1994-02-03 WO disclosed
US-5278070-A Process for producing epoxyalcohols of high optical purity ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-01-11 US disclosed
EP-0454463-A2 Process for producing epoxyalcohols of high optical purity ARCO Chemical Technology, L.P. (US) 1991-10-30 EP disclosed
EP-0422897-A2 Recovery of water-insoluble epoxy alcohols ARCO Chemical Technology, L.P. (US) 1991-04-17 EP disclosed
US-4935101-A Process for the recovery of a water-insoluble epoxy alcohol ARCO CHEMICAL TECHNOLOGY, INC. (US) 1990-06-19 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 (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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 ALDH1A1 320/4885KDM1A 1824/4885PTGS2 260/4885

“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.