SCHEMBL12041925

SCHEMBL12041925

CC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14572679 0.79 PTPN1 (0.42) ALDH1A1CRHBPCRHR2PTPN1KMT2A
SCHEMBL9730908 0.78
SCHEMBL18098832 0.76 ALDH1A1 (0.44) ALDH1A1CRHBPCRHR2PTPN1TSHR
SCHEMBL5171537 0.76 PTPN1 (0.45) ALDH1A1CRHBPCRHR2PTPN1TSHR
SCHEMBL14572632 0.74 SIRT1 (0.59) ALDH1A1CRHBPCRHR2SMN1; SMN2CYP1A2
SCHEMBL13416911 0.74 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2PTPN1SMN1; SMN2
SCHEMBL13467414 0.72 ALDH1A1 (0.42) ALDH1A1CRHBPCRHR2PTPN1TSHR
SCHEMBL21218107 0.72 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7137074 0.72 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2PTPN1TSHR
SCHEMBL3077632 0.72 PTPN1 (0.47) ALDH1A1CRHBPCRHR2PTPN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103067-A1 COMPOUNDS AND COMPOSITIONS AS eIF4E INHIBITORS AND USES THEREOF RIBOMETRIX, INC. (US) 2024-05-16 WO disclosed
EP-3664900-B1 PHOTOSENSITIVE MICROCAPSULES PROCTER & GAMBLE INT OPERATIONS SA (CH) 2023-08-23 EP disclosed
US-20220144769-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-12 US disclosed
EP-3441115-B1 PHOTOSENSITIVE MICROCAPSULES PROCTER & GAMBLE INT OPERATIONS SA (CH) 2020-05-27 EP disclosed
EP-3441115-A1 PHOTOSENSITIVE MICROCAPSULES Procter & Gamble International Operations SA (CH) 2019-02-13 EP disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9290623-B2 Composition for forming silicon-containing resist underlayer film having cyclic diester group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-22 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090029093-A1 OPTICAL INFORMATION RECORDING MEDIUM AND PROCESS FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-01-29 US disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20070059641-A1 Optical recording medium and polymethine complex for use in the recording layer of the optical recording medium INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-03-15 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 (6 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885CRHBP 3456/4885CRHR2 1602/4885
US-20220144769-A1 COMPOUND CBR3, SFXN3, CBR1 ALDH1A1 928/4885CRHBP 2334/4885CRHR2 1189/4885
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 ALDH1A1 1187/4885CRHBP 3762/4885CRHR2 2445/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885CRHBP 2164/4885CRHR2 639/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885CRHBP 2164/4885CRHR2 639/4885
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R ALDH1A1 2872/4885CRHBP 1329/4885CRHR2 454/4885

“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.