SCHEMBL468884

SCHEMBL468884

O=C(O)c1cc(O)c(=O)c2c(O)c(O)c(O)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.79
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
SNCA P37840 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
CA3 P07451 1/20 0.55
SELL P14151 1/20 0.55
SELP P16109 1/20 0.55
FUT4 P22083 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55

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
SCHEMBL12610191 0.85 PTPN11 (0.68) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL20187628 0.85 PTPN11 (0.68) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL19393187 0.82 PTPN11 (0.60) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL12610000 0.81 PTPN11 (0.77) PTPN11CA12CA1CA2CA3
7-Deshydroxypyrogallin-4-Carboxylic Acid SCHEMBL12609998 0.81 PTPN11 (0.73) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL524294 0.78 CA12 (0.73) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL686591 0.76 CA12 (0.61) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL29914372 0.76 CA12 (0.61) PTPN11KDM4EALDH1A1TP53MAPT
SCHEMBL19509567 0.74 KDM4E (0.55) PTPN11KDM4EALDH1A1TP53MAPT
Gallic Acid SCHEMBL678990 0.73 CA12 (1.00) PTPN11KDM4EALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125766-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION MAGGIES PEARL LLC (US) 2022-04-28 US disclosed
US-11160794-B2 Methods for treating congenital disorders of glycosylation MAGGIE'S PEARL, LLC (US) 2021-11-02 US disclosed
US-20210030721-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION PERLARA PBC 2021-02-04 US disclosed
WO-2020040831-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION PERLARA PBC (US) 2020-02-27 WO disclosed
EP-2433625-B1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LTD (JP) 2017-09-27 EP disclosed
US-9169231-B2 Anti-obesity agent comprising compound containing benzotropolone ring SUNTORY HOLDINGS LIMITED (JP) 2015-10-27 US disclosed
US-9169231-B2 Anti-obesity agent comprising compound containing benzotropolone ring SUNTORY HOLDINGS LIMITED (JP) 2015-10-27 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150038573-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LIMITED (JP) 2015-02-05 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140121388-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LIMITED (JP) 2014-05-01 US disclosed
US-20140121388-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LIMITED (JP) 2014-05-01 US disclosed
US-8658237-B2 Anti-obesity agent comprising compound containing benzotropolone ring SUNTORY HOLDINGS LIMITED (JP) 2014-02-25 US disclosed
US-8658237-B2 Anti-obesity agent comprising compound containing benzotropolone ring SUNTORY HOLDINGS LIMITED (JP) 2014-02-25 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
US-20120065410-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LIMITED (JP) 2012-03-15 US disclosed
WO-2011048011-A2 BENZOTROPOLONE DERIVATIVES AS ANTIMICROBIAL AGENTS BASF SE (DE) 2011-04-28 WO disclosed
US-7288680-B2 Benzotropolone derivatives and modulation of inflammatory response WELLGEN, INC. (US) 2007-10-30 US disclosed
US-7288680-B2 Benzotropolone derivatives and modulation of inflammatory response WELLGEN, INC. (US) 2007-10-30 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 (8 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-20120065410-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING PNLIP, GAA, LIPC PTPN11 2838/4885KDM4E 1234/4885ALDH1A1 422/4885
US-20150038573-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING PNLIP, GAA, LIPC PTPN11 2838/4885KDM4E 1234/4885ALDH1A1 422/4885
US-11160794-B2 Methods for treating congenital disorders of glycosylation MAN1B1, MAN2B1, GAA PTPN11 2042/4885KDM4E 3915/4885ALDH1A1 1692/4885
US-20210030721-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION MAN1B1, MAN2B1, GAA PTPN11 2042/4885KDM4E 3915/4885ALDH1A1 1692/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA PTPN11 4866/4885KDM4E 1984/4885ALDH1A1 2191/4885
US-20220125766-A1 METHODS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION MAN1B1, MAN2B1, GAA PTPN11 2042/4885KDM4E 3915/4885ALDH1A1 1692/4885
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C PTPN11 1520/4885KDM4E 19/4885ALDH1A1 1314/4885
US-20140121388-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING PNLIP, GAA, LIPC PTPN11 2838/4885KDM4E 1234/4885ALDH1A1 422/4885

“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.