SCHEMBL4731552

SCHEMBL4731552

O=C(O)c1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.69
SIRT2 Q8IXJ6 5/20 0.57
ACMSD Q8TDX5 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
CTRC Q99895 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ERN1 O75460 2/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
CSNK2A1 P68400 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.53

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
SCHEMBL29923455 0.92 KMO (0.68) KMOSIRT2LMNAGAAERN1
SCHEMBL14743086 0.92 KMO (0.68) KMOSIRT2LMNAGAAERN1
SCHEMBL14758851 0.91 KMO (0.66) KMOSIRT2LMNAGAAERN1
SCHEMBL18965053 0.87 ATM (0.59) KMOSIRT2ACMSDHSD17B1HSD17B2
SCHEMBL6836496 0.87 CTRC (0.62) KMOSIRT2ACMSDCTRCHSD17B1
SCHEMBL3220396 0.86 KMO (0.91) KMOLMNAGAAERN1RXRA
SCHEMBL3020903 0.86 ESR1 (0.65) KMOLMNAGAAHSD17B1HSD17B2
SCHEMBL2036894 0.85 ACMSD (0.61) KMOACMSDCTRCRXRARXRB
SCHEMBL2310774 0.85 KMO (0.62) KMOACMSDLMNAGAARXRA
SCHEMBL29788052 0.85 ACMSD (0.61) KMOACMSDCTRCRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101861-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER THE UAB RESEARCH FOUNDATION (US) 2021-04-08 US disclosed
US-10800726-B2 Rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer THE UAB RESEARCH FOUNDATION (US) 2020-10-13 US disclosed
EP-3160508-B1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER UAB RES FOUND (US) 2020-08-05 EP disclosed
US-20180201565-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER THE UAB RESEARCH FOUNDATION (US) 2018-07-19 US disclosed
US-20180201565-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER THE UAB RESEARCH FOUNDATION (US) 2018-07-19 US disclosed
WO-2016004066-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER THE UAB RESEARCH FOUNDATION (US) 2016-01-07 WO disclosed
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 WO disclosed
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 WO disclosed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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-20180201565-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER GPR119, PNLIP, RXRG KMO 4000/4885SIRT2 648/4885ACMSD 4349/4885
US-10800726-B2 Rexinoid compounds and methods of using rexinoid compounds for treating metabolic disorders and cancer GPR119, PNLIP, LIPC KMO 3852/4885SIRT2 644/4885ACMSD 4361/4885
US-20210101861-A1 NOVEL REXINOID COMPOUNDS AND METHODS OF USING REXINOID COMPOUNDS FOR TREATING METABOLIC DISORDERS AND CANCER GPR119, PNLIP, RXRG KMO 4000/4885SIRT2 648/4885ACMSD 4349/4885

“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.