SCHEMBL3292986

SCHEMBL3292986

O=C(CBr)c1ccc(OC(=O)c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
GSK3B P49841 7/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
PARP10 Q53GL7 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
TP53 P04637 1/20 0.37
CA12 O43570 2/20 0.37

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
SCHEMBL3192548 0.84 PTPN1 (0.50) PTPN1GSK3BMEN1KMT2AKDM4E
SCHEMBL8073630 0.82 MEN1 (0.56) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4333412 0.81 PTPN1 (0.71) PTPN1GSK3BMEN1KMT2AKDM4E
SCHEMBL15967018 0.81 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22978747 0.80 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16131324 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2261141 0.77 PTPN1 (0.66) PTPN1GSK3BMEN1KMT2AALDH1A1
Beta-Naphtoic Acid SCHEMBL4328136 0.77 PTPN1 (0.63) PTPN1GSK3BMEN1KMT2AKDM4E
SCHEMBL4328140 0.75 PTPN1 (0.53) PTPN1GSK3BMEN1KMT2AKDM4E
SCHEMBL4324217 0.74 GSK3B (0.72) PTPN1GSK3BMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810976-B1 BENZONAPHTHACENEGLYCOSIDE DERIVATIVE AND USE THEREOF FUJIFILM CORP (JP) 2014-08-27 EP claimed
US-20080027144-A1 Benzonaphthacene Glycoside Derivative and Use Thereof FUJIFILM CORPORATION (JP) 2008-01-31 US claimed
EP-1810976-A1 BENZONAPHTHACENEGLYCOSIDE DERIVATIVE AND USE THEREOF FUJIFILM Corporation (JP) 2007-07-25 EP claimed
US-6693091-B2 CONTAINING PHOTOACTIVE, FLUORESCENT, OR RADIOACTIVE MOIETY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-02-17 US claimed
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-12-04 US claimed
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies THE TRUSTEES OF COLUMBIA UNIVERSITY 2003-10-16 US claimed
WO-2003082185-A2 ANALOGS OF TERPENE TRILACTONES FROM GINKGO BILOBA AND RELATED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-10-09 WO claimed
EP-1810976-B1 BENZONAPHTHACENEGLYCOSIDE DERIVATIVE AND USE THEREOF FUJIFILM CORP (JP) 2014-08-27 EP disclosed
WO-2012104225-A1 DERIVATIZATION OF RADIOPHARMACEUTICALS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-09 WO disclosed
US-7732582-B2 Benzonaphthacene glycoside derivative and use thereof FUJIFILM CORPORATION (JP) 2010-06-08 US disclosed
US-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-06-18 US disclosed
US-7473788-B2 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-06 US disclosed
US-20080027144-A1 Benzonaphthacene Glycoside Derivative and Use Thereof FUJIFILM CORPORATION (JP) 2008-01-31 US disclosed
US-20070098632-A1 Analogs of terpene trilactones from ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-05-03 US disclosed
US-7145021-B2 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-12-05 US disclosed
WO-2005092324-A1 GINKGOLIDE COMPOUNDS, COMPOSITIONS, EXTRACTS, AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-10-06 WO disclosed
US-6693091-B2 CONTAINING PHOTOACTIVE, FLUORESCENT, OR RADIOACTIVE MOIETY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-02-17 US disclosed
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-12-04 US disclosed
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies THE TRUSTEES OF COLUMBIA UNIVERSITY 2003-10-16 US disclosed
WO-2003082185-A2 ANALOGS OF TERPENE TRILACTONES FROM GINKGO BILOBA AND RELATED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-10-09 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 (5 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-20070098632-A1 Analogs of terpene trilactones from ginkgo biloba and related compounds and uses thereof GRK5, GPR55, GPBAR1 PTPN1 4551/4885GSK3B 1792/4885MEN1 3188/4885
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof GPBAR1, GRK5, CNR1 PTPN1 4654/4885GSK3B 1529/4885MEN1 3812/4885
US-20080027144-A1 Benzonaphthacene Glycoside Derivative and Use Thereof SORD, PSAT1, SBDS PTPN1 4265/4885GSK3B 2625/4885MEN1 2746/4885
US-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof PYGB, NLN, GRIN3B PTPN1 4667/4885GSK3B 67/4885MEN1 249/4885
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies GRK4, GRK1, GNB1 PTPN1 4777/4885GSK3B 369/4885MEN1 2708/4885

“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.