SCHEMBL3082671

SCHEMBL3082671

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 14/20 0.41
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
PRKCA P17252 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL3082564 0.76 ALDH1A1 (0.41) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL23873708 0.72 L3MBTL1 (0.38) L3MBTL1PTPN1ALDH1A1PRKCA
SCHEMBL3077632 0.71 PTPN1 (0.47) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL26502837 0.71 PTGES (0.34)
SCHEMBL15564118 0.71 KMT2A (0.40) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL2310858 0.71 ALDH1A1 (0.41) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL20786806 0.69 PTPN1 (0.46) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL7059040 0.68 ALDH1A1 (0.39) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2
SCHEMBL9730908 0.68
SCHEMBL12041925 0.67 ALDH1A1 (0.45) L3MBTL1PTPN1ALDH1A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182471-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-06-06 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
US-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
WO-2010070593-A2 MALONATE ESTERS PFIZER IRELAND PHARMACEUTICALS (IE) 2010-06-24 WO disclosed
WO-2010070593-A2 MALONATE ESTERS PFIZER IRELAND PHARMACEUTICALS (IE) 2010-06-24 WO disclosed
WO-2007127309-A2 PROCESSES FOR THE SYNTHESIS OF 3-ISOBUTYLGLUTARIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO disclosed
US-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid TEVA PHARMACEUTICALS USA, INC. 2007-11-08 US disclosed
US-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid TEVA PHARMACEUTICALS USA, INC. 2007-11-08 US disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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 (5 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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS L3MBTL1 3902/4885PTPN1 2317/4885ALDH1A1 529/4885
US-20240182471-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS L3MBTL1 3902/4885PTPN1 2317/4885ALDH1A1 529/4885
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 L3MBTL1 2575/4885PTPN1 3818/4885ALDH1A1 2507/4885
US-20070259917-A1 Processes for the synthesis of 3-isobutylglutaric acid OGDH, GLUL, PGD L3MBTL1 2890/4885PTPN1 4687/4885ALDH1A1 838/4885
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS L3MBTL1 3902/4885PTPN1 2317/4885ALDH1A1 529/4885

“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.