SCHEMBL4492789

SCHEMBL4492789

CC1(c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.52
ESR1 P03372 7/20 0.52
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
TYR P14679 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Phenol SCHEMBL4491407 0.91 CA12 (0.48) ESR2ESR1MMP2MMP9CYP3A4
SCHEMBL5241008 0.90 ESR2 (0.60) ESR2ESR1MMP2MMP9LMNA
SCHEMBL1495106 0.90 ESR2 (0.54) ESR2ESR1MMP2MMP9LMNA
SCHEMBL1516123 0.88 ESR2 (0.61) ESR2ESR1MMP2MMP9LMNA
SCHEMBL23977196 0.85 ESR2 (0.41) ESR2ESR1MMP2MMP9OPRD1
SCHEMBL19486880 0.84 ESR2 (0.43) ESR2ESR1MMP2MMP9OPRD1
SCHEMBL3682201 0.84 ESR2 (0.39) ESR2ESR1MMP2MMP9OPRD1
SCHEMBL27694968 0.83 ESR2 (0.52) ESR2ESR1MMP2MMP9HPGD
SCHEMBL9322798 0.81 ESR2 (0.50) ESR2ESR1MMP2MMP9LMNA
SCHEMBL21755391 0.80 ESR2 (0.40) ESR2ESR1MMP2MMP9OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382931-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2023-11-30 US disclosed
US-20230382931-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2023-11-30 US disclosed
CN-112105624-B Treatment of cancer using (2, 2-dihydroxymethyl) methylene cyclopropane nucleotides 美迪维尔公司 2023-09-22 CN disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230117570-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2023-04-20 US disclosed
US-20210054008-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2021-02-25 US disclosed
CN-112105624-A Treatment of cancer using (2, 2-bis hydroxymethyl) methylene cyclopropane nucleotides 美迪维尔公司 2020-12-18 CN disclosed
US-10822360-B2 Dioxolane analogues of uridine for the treatment of cancer MEDIVIR AB (SE) 2020-11-03 US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (10 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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN ESR2 767/4885ESR1 3357/4885MMP2 411/4885
US-20230117570-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NT5C ESR2 1166/4885ESR1 1065/4885MMP2 4748/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ESR2 1223/4885ESR1 2306/4885MMP2 2887/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A ESR2 2703/4885ESR1 4686/4885MMP2 160/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN ESR2 717/4885ESR1 2540/4885MMP2 482/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ESR2 1490/4885ESR1 2778/4885MMP2 2226/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ESR2 1223/4885ESR1 2306/4885MMP2 2887/4885
US-20210054008-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NTPCR ESR2 1220/4885ESR1 1274/4885MMP2 4752/4885
US-20230382931-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NTPCR ESR2 1220/4885ESR1 1274/4885MMP2 4752/4885
US-10822360-B2 Dioxolane analogues of uridine for the treatment of cancer ADORA3, DUT, NTPCR ESR2 1220/4885ESR1 1274/4885MMP2 4752/4885

“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.