SCHEMBL411675

SCHEMBL411675

COc1c(C)cc(-c2ccccc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PDE4B Q07343 4/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.41
CTSA P10619 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10030804 0.85 ACHE (0.43) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL20232746 0.83 PPARG (0.42) CNR1CNR2PPARGPPARAPDE4B
SCHEMBL9191728 0.80 CNR1 (0.59) CNR1CNR2PPARGPPARAKDM4E
SCHEMBL14610813 0.79 IKBKB (0.63) CNR1CNR2PPARGPPARAPDE4B
SCHEMBL8400954 0.78 ALDH1A1 (0.42) CNR1CNR2ALDH1A1TSHRCYP3A4
SCHEMBL11560594 0.78 PPARG (0.44) CNR1CNR2PPARGPPARAKDM4E
SCHEMBL18970435 0.78 PTGER2 (0.49) GAACTSACYP1A1CYP1A2CYP2E1
Zinc Ion SCHEMBL9191725 0.78 CNR1 (0.56) CNR1CNR2PPARGPPARAKDM4E
Methoxy Aucuparin SCHEMBL8420787 0.77 KDM4E (0.62) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL2096573 0.77 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805674-B Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-114805674-A Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2022-07-29 CN disclosed
CN-108017479-B Method for producing aromatic compound 东曹株式会社 2022-07-29 CN disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-13 US disclosed
US-7560488-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
US-7371755-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2008-05-13 US disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
EP-1214317-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2002-06-19 EP disclosed
WO-2001019822-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2001-03-22 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 (4 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CNR1 4662/4885CNR2 4111/4885PPARG 746/4885
US-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP CNR1 4745/4885CNR2 4848/4885PPARG 2893/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP CNR1 4745/4885CNR2 4848/4885PPARG 2893/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP CNR1 4745/4885CNR2 4848/4885PPARG 2893/4885

“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.