SCHEMBL3884055

SCHEMBL3884055

CCN(CC)c1ccc2cc(C(=O)CBr)c(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.74
MAPT P10636 8/20 0.74
KMT2A Q03164 8/20 0.74
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 6/20 0.74
MAOB P27338 4/20 0.74
HPGD P15428 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
ATM Q13315 3/20 0.74
USP2 O75604 2/20 0.74
HSD17B10 Q99714 2/20 0.74
SLC16A3 O15427 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C19 P33261 1/20 0.74
ALOX15 P16050 1/20 0.74
SLC16A1 P53985 1/20 0.74
CYP19A1 P11511 1/20 0.63
NPSR1 Q6W5P4 2/20 0.57
NPC1 O15118 1/20 0.57
STAT3 P40763 1/20 0.57

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
SCHEMBL30350015 1.00 MEN1 (0.74) MEN1MAPTKMT2AALDH1A1KDM4E
Bromide SCHEMBL5940986 0.99 MEN1 (0.73) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL25443888 0.90 MEN1 (0.78) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL12651748 0.87 MEN1 (0.74) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL51872 0.87 MEN1 (0.82) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL8592677 0.86 ALDH1A1 (0.77) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL28843732 0.86 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL42693 0.85 ALDH1A1 (1.00) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL29775307 0.85 ALDH1A1 (1.00) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1131018 0.85 MEN1 (1.00) MEN1MAPTKMT2AALDH1A1KDM4E

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 42 patents — showing the first 20. 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
CN-115867544-A Substituted coumarin dyes and their use as fluorescent labels 伊鲁米纳剑桥有限公司 2023-03-28 CN disclosed
US-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2013-10-31 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-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1117838-B1 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS INC (US) 2009-05-13 EP 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
EP-1117838-A4 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS INC (US) 2007-05-02 EP disclosed
US-20030087398-A1 Method for analyzing polynucleotides NUVELO, INC. 2003-05-08 US disclosed
US-6500650-B1 Method for identifying polymorphisms VARIAGENICS, INC. 2002-12-31 US disclosed
US-20020150943-A1 Genotyping by mass spectrometric analysis of allelic fragments VARIAGENICS, INC. 2002-10-17 US disclosed
US-6458945-B1 DETECTING VARIANCE IN NUCLEOTIDE SEQUENCE; MIXING ADENOSINE-CYTOSINE-, THYMIDINE-, OR URIDINE TRIPHOSPHATE WITH NUCLEOTIDE IN PRESENCE OF POLYMERASE VARIAGENICS, INC. 2002-10-01 US disclosed
US-6440705-B1 DETECTION OF VARIANCE IN NUCLEOTIDE SEQUENCE WITHOUT THE NEED FOR FULL SEQUENCE DETERMINATION; GENOTYPING AND LABELING WHILE CLEAVING DNA STRANDS; ELECTROPHORESIS NUVELO, INC. 2002-08-27 US disclosed
WO-2002021098-A2 A METHOD FOR IDENTIFYING POLYMORPHISMS VARIAGENICS, INC. (US) 2002-03-14 WO disclosed
EP-1117838-A1 A METHOD FOR ANALYZING POLYNUCLEOTIDES Variagenics, Inc. (US) 2001-07-25 EP disclosed
WO-2000018967-A1 A METHOD FOR ANALYZING POLYNUCLEOTIDES VARIAGENICS, INC. (US) 2000-04-06 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 (6 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 MEN1 3188/4885MAPT 4742/4885KMT2A 4407/4885
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof GPBAR1, GRK5, CNR1 MEN1 3812/4885MAPT 4801/4885KMT2A 4521/4885
US-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof PYGB, NLN, GRIN3B MEN1 249/4885MAPT 39/4885KMT2A 4301/4885
US-20130287700-A1 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM SNCA, MAPT, TARDBP MEN1 2209/4885MAPT 2/4885KMT2A 4298/4885
US-20030087398-A1 Method for analyzing polynucleotides POLN, POLRMT, POLM MEN1 3272/4885MAPT 3174/4885KMT2A 3548/4885
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies GRK4, GRK1, GNB1 MEN1 2708/4885MAPT 4042/4885KMT2A 3900/4885

“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.