SCHEMBL1165494

SCHEMBL1165494

Cc1ccc2c(c1)OC(C)(C)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.41
ELANE P08246 1/20 0.41
HTR2C P28335 1/20 0.40
MAOB P27338 9/20 0.40
MAOA P21397 2/20 0.40
CYP19A1 P11511 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13910128 0.86 TSHR (0.50) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL734522 0.85 KDM4E (0.47) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL2762063 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRMAOBKDM4E
SCHEMBL1814585 0.80 ALDH1A1 (0.40) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL3526681 0.80 ALDH1A1 (0.44) ALDH1A1TSHRHTR2CMAOBCA1
SCHEMBL31217549 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRMAOBCA1
SCHEMBL1314145 0.80 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRHTR2C
SCHEMBL30608424 0.80 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRHTR2C
SCHEMBL1814220 0.77 KMT2A (0.41) ALDH1A1MAPTRAB9AHSD17B10TSHR
SCHEMBL2868883 0.77 TSHR (0.38) ALDH1A1NPC1GAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
EP-2694707-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME Cornell University (US) 2014-02-12 EP disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US disclosed
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US disclosed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US disclosed
WO-2007059871-A1 HYDROXY-SUBSTITUTED DIPHENYLAZETIDINONES FOR THE TREATMENT OF HYPERLIPIDAEMIA SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-31 WO disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 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 (7 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 ALDH1A1 4582/4885NPC1 4837/4885GAA 4698/4885
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885NPC1 368/4885GAA 735/4885
US-20080274947-A1 Hydroxy-Substituted Diphenylazetidinones for the Treatment of Hyperlipidemia CYP46A1, GPR119, DHCR7 ALDH1A1 479/4885NPC1 158/4885GAA 811/4885
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 ALDH1A1 378/4885NPC1 976/4885GAA 585/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 ALDH1A1 4582/4885NPC1 4837/4885GAA 4698/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 ALDH1A1 4582/4885NPC1 4837/4885GAA 4698/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885NPC1 368/4885GAA 735/4885

“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.