SCHEMBL179103

SCHEMBL179103

CCN1Cc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
DRD2 P14416 2/20 0.49
DRD5 P21918 2/20 0.49
DRD3 P35462 2/20 0.49
HTR1A P08908 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
PKM P14618 2/20 0.49
HTR7 P34969 2/20 0.48
ACHE P22303 1/20 0.46

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
SCHEMBL29642368 1.00 KDM4E (0.58) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL31252767 0.85 KDM4E (0.64) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL8242914 0.85 KDM4E (0.64) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL30073106 0.84 KDM4E (0.72) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL30073110 0.84 KDM4E (0.72) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9595388 0.83 KDM4E (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9383418 0.83 KDM4E (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9383413 0.83 KDM4E (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL22291829 0.82 KDM4E (0.60) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL29531631 0.82 KDM4E (0.60) KDM4EALOX15TSHRSIRT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 US disclosed
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 US disclosed
WO-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 WO disclosed
WO-2023156450-A1 THERAPEUTIC PHENETHYLAMINE COMPOSITIONS AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 WO disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2021-12-30 US disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 US disclosed
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080234268-A1 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2008-09-25 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
CN-1741995-A Isoindoline derivative MARUISHI PHARMA (JP) 2006-03-01 CN disclosed
US-4030932-A PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1977-06-21 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 (10 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL KDM4E 2617/4885ALOX15 3328/4885TSHR 3766/4885
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL KDM4E 1438/4885ALOX15 3863/4885TSHR 2675/4885
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 KDM4E 1120/4885ALOX15 2864/4885TSHR 4065/4885
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use SCO2, SQOR, DUOX2 KDM4E 1691/4885ALOX15 532/4885TSHR 3882/4885
US-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD KDM4E 3888/4885ALOX15 267/4885TSHR 4795/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B KDM4E 4341/4885ALOX15 4002/4885TSHR 315/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC KDM4E 1403/4885ALOX15 3242/4885TSHR 3955/4885
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 KDM4E 1731/4885ALOX15 627/4885TSHR 3883/4885
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, DUOX2 KDM4E 1731/4885ALOX15 627/4885TSHR 3883/4885
US-20080234268-A1 Bis-aryl amide derivatives and methods of use MET, REL, NAT1 KDM4E 1448/4885ALOX15 1670/4885TSHR 1900/4885

“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.