SCHEMBL668639

SCHEMBL668639

COc1cc(C(=O)Cl)cc(OC)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL17946064 0.90 MEN1 (0.47) RXFP1MEN1KMT2ACYP3A4CA12
SCHEMBL10354178 0.84 MEN1 (0.46) RXFP1MEN1KMT2ACYP3A4CA12
SCHEMBL987150 0.83 LMNA (0.45) MEN1KMT2ACYP3A4CA12CA1
SCHEMBL11789059 0.83 PKM (0.67) MEN1KMT2ACYP3A4CA12CA1
SCHEMBL219096 0.83 TUBB4A (0.55) MEN1KMT2ACYP3A4LMNATSHR
SCHEMBL28275397 0.83 TUBB4A (0.55) MEN1KMT2ACYP3A4LMNATSHR
SCHEMBL11855711 0.83 CYP3A4 (0.45) RXFP1MEN1KMT2ACYP3A4CA12
SCHEMBL985988 0.81 TSHR (0.44) MEN1KMT2ACYP3A4CA12CA1
SCHEMBL12331341 0.81 CA12 (0.44) RXFP1MEN1KMT2ACYP3A4CA12
SCHEMBL27189392 0.81 LMNA (0.44) RXFP1MEN1KMT2ACYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109668987-A A kind of 3- amino piperidine dihydrochloride enantiomter measurement analysis method 浙江华贝药业有限责任公司 2019-04-23 CN claimed
EP-3357904-B1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX PRECIGEN INC (US) 2022-07-06 EP disclosed
EP-3357904-B1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX PRECIGEN INC (US) 2022-07-06 EP disclosed
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2020-08-27 US disclosed
US-10633361-B2 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2020-04-28 US disclosed
US-10633361-B2 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2020-04-28 US disclosed
EP-3219204-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2019-08-07 EP disclosed
EP-3219204-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2019-08-07 EP disclosed
CN-109668987-A A kind of 3- amino piperidine dihydrochloride enantiomter measurement analysis method 浙江华贝药业有限责任公司 2019-04-23 CN disclosed
CN-105018509-B Mutant receptors and their applications in the inducible gene expression system based on nuclear receptor 因特莱克森公司 2019-03-05 CN disclosed
US-20050266457-A1 Modulating the expression of a gene in a host cell for applications such as gene therapy, large scale production of proteins and antibodies, cell-based high throughput screening assays, functional genomics and regulation of traits in transgenic organisms INTREXON CORPORATION 2005-12-01 US disclosed
WO-2005108617-A2 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM RHEOGENE,INC. (US) 2005-11-17 WO disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 WO disclosed
EP-1032561-B1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2004-02-11 EP disclosed
US-6369070-B1 Methods for inhibiting mrp1 ELI LILLY AND COMPANY 2002-04-09 US disclosed
EP-1032561-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 2000-09-06 EP disclosed
US-6063926-A HAVING GREATER BIOACTIVITY SCHERING CORPORATION (US) 2000-05-16 US disclosed
WO-1999026924-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-06-03 WO disclosed
WO-1998007722-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST PFIZER LIMITED (GB) 1998-02-26 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 (3 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-20050266457-A1 Modulating the expression of a gene in a host cell for applications such as gene therapy, large scale production of proteins and antibodies, cell-based high throughput screening assays, functional genomics and regulation of traits in transgenic organisms NR2E3, HAVCR2, FCER2 RXFP1 2035/4885MEN1 4765/4885KMT2A 663/4885
US-20200270225-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 RXFP1 1971/4885MEN1 2893/4885KMT2A 1191/4885
US-10633361-B2 Chiral diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex NR2E3, CRYZ, TCF12 RXFP1 1971/4885MEN1 2893/4885KMT2A 1191/4885

“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.