SCHEMBL4282429

SCHEMBL4282429

COc1cc2cc(CBr)c(=O)oc2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
ACHE P22303 9/20 0.44
BACE1 P56817 1/20 0.44
NQO1 P15559 1/20 0.44
BCHE P06276 4/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ADAM17 P78536 1/20 0.41
MAOA P21397 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
SCHEMBL7513873 0.80 GPR55 (0.67) GPR55MAOA
SCHEMBL28301121 0.78 MEN1 (0.52) CNR1CNR2GPR55
SCHEMBL9058086 0.77 MCL1 (0.53) MCL1ACHENQO1BCHEMAOA
SCHEMBL28374261 0.75 MCL1 (0.55) MCL1ACHENQO1BCHEMAOA
SCHEMBL18620901 0.74 ADAM17 (0.46) MCL1ACHENQO1BCHEADAM17
SCHEMBL17768958 0.74 MCL1 (0.53) MCL1ACHEBACE1NQO1BCHE
SCHEMBL15179340 0.72 ADAM17 (0.46) MCL1ACHENQO1BCHEGPR55
SCHEMBL19686993 0.72 ADAM17 (0.46) MCL1ACHENQO1BCHEGPR55
SCHEMBL31344274 0.72 MCL1 (0.47) MCL1ACHENQO1PDE4D
SCHEMBL67273 0.72 MCL1 (0.47) MCL1ACHENQO1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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-20070098632-A1 Analogs of terpene trilactones from ginkgo biloba and related compounds and uses thereof GRK5, GPR55, GPBAR1 MCL1 4457/4885ACHE 3397/4885BACE1 3355/4885
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof GPBAR1, GRK5, CNR1 MCL1 4327/4885ACHE 3082/4885BACE1 2856/4885
US-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof PYGB, NLN, GRIN3B MCL1 2110/4885ACHE 569/4885BACE1 424/4885
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies GRK4, GRK1, GNB1 MCL1 3789/4885ACHE 3016/4885BACE1 1898/4885

“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.