SCHEMBL817451

SCHEMBL817451

CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
PKM P14618 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL472111 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL817452 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11311453 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12559863 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5523436 0.92 POLB (0.47) ALDH1A1MAPTMEN1KMT2APPM1B
SCHEMBL28551224 0.92 POLB (0.47) ALDH1A1MAPTMEN1KMT2APPM1B
SCHEMBL27557286 0.92 CA1 (0.39) ALDH1A1MEN1KMT2AGAACA1
SCHEMBL1169943 0.89 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10632680 0.88 KDM4E (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13003098 0.88 KDM4E (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030864-B2 Small molecule anticancer agents, combinations and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-09 US disclosed
US-12030864-B2 Small molecule anticancer agents, combinations and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-09 US disclosed
US-20230122505-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-04-20 US disclosed
WO-2021188523-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-23 WO disclosed
US-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF University of Florda Research Foundation,Incorporated (US) 2021-05-20 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-5187286-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-16 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-20210147379-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF MKI67, TP53, PLK1 ALDH1A1 2120/4885MAPT 3376/4885MEN1 2251/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885MAPT 3166/4885MEN1 4859/4885
US-20230122505-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF MKI67, TP53, PLK1 ALDH1A1 2120/4885MAPT 3376/4885MEN1 2251/4885
US-12030864-B2 Small molecule anticancer agents, combinations and uses thereof MKI67, TP53, PCNA ALDH1A1 1525/4885MAPT 3479/4885MEN1 1485/4885

“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.