SCHEMBL68340

SCHEMBL68340

CCOC(=O)Cc1ccccc1CC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
HSD17B10 Q99714 1/20 0.50
TBXAS1 P24557 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NLRP3 Q96P20 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL31424953 0.96 PKM (0.57) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL31424955 0.96 PKM (0.57) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL6878047 0.96 PKM (0.57) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL28362403 0.92 PKM (0.54) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL28670364 0.92 PKM (0.54) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL28392837 0.91 PKM (0.53) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL4671445 0.91 PKM (0.53) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL28362383 0.91 PKM (0.53) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL8851459 0.91 PKM (0.53) PKMCYP4F2CYP4A11TSHRSMN1; SMN2
SCHEMBL1107140 0.90 PKM (0.55) PKMCYP4F2CYP4A11TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951812-A Preparation method of epoxy polyamide type paper making wet strength agent ZHEJIANG TRANSFAR WHYYON CHEMICAL CO LTD 2014-07-30 CN claimed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US disclosed
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 中国科学院上海药物研究所 2021-10-26 CN disclosed
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2020-05-19 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
EP-3541812-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS Takeda Pharmaceutical Company Limited (JP) 2019-09-25 EP disclosed
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2019-07-11 US disclosed
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-08-25 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-7960400-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2011-06-14 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-2200437-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF Duquesne University of the Holy Ghost (US) 2010-06-30 EP disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST 2009-03-05 US disclosed
WO-2009029473-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2009-03-05 WO 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-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 PKM 1945/4885CYP4F2 2234/4885CYP4A11 2083/4885
US-20090062318-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS PKM 1078/4885CYP4F2 1457/4885CYP4A11 2671/4885
US-20190211019-A1 TRICYCLIC COMPOUNDS HAVING CYTOSTATIC AND/OR CYTOTOXIC ACTIVITY AND METHODS OF USE THEREOF DHFR, TK1, TYMS PKM 1078/4885CYP4F2 1457/4885CYP4A11 2671/4885
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 PKM 1945/4885CYP4F2 2234/4885CYP4A11 2083/4885
US-20110207757-A1 Tricyclic Compounds Having Cytostatic and/or Cytoxic Activity and Methods of Use Thereof DHFR, TK1, TK2 PKM 1250/4885CYP4F2 1330/4885CYP4A11 2558/4885
US-10654858-B2 Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof DHFR, TK1, TYMS PKM 1078/4885CYP4F2 1457/4885CYP4A11 2671/4885

“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.