SCHEMBL867430

SCHEMBL867430

CN(C)C1=CC(=O)c2c(O)cccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
KDM4E B2RXH2 5/20 0.63
RECQL P46063 5/20 0.63
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 5/20 0.63
TDP1 Q9NUW8 5/20 0.63
MEN1 O00255 4/20 0.63
HPGD P15428 3/20 0.63
ALOX15 P16050 3/20 0.63
HSD17B10 Q99714 3/20 0.63
CYP3A4 P08684 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TRPA1 O75762 2/20 0.63
TP53 P04637 2/20 0.63
CASP1 P29466 2/20 0.63
CDC25B P30305 2/20 0.63
BLM P54132 2/20 0.63
CASP7 P55210 2/20 0.63
MAP2K7 O14733 1/20 0.63

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
SCHEMBL867967 0.87 P4HB (0.58) MAPTKDM4ERECQLKMT2AALDH1A1
SCHEMBL18992075 0.79 MAPT (0.58) MAPTKDM4ERECQLKMT2AALDH1A1
Plumbagin SCHEMBL29386213 0.77 MAPT (1.00) MAPTKDM4ERECQLKMT2AALDH1A1
Plumbagin SCHEMBL34186 0.77 MAPT (1.00) MAPTKDM4ERECQLKMT2AALDH1A1
SCHEMBL29405399 0.77 MAPT (0.72) MAPTKDM4ERECQLKMT2AALDH1A1
SCHEMBL109904 0.77 MAPT (0.72) MAPTKDM4ERECQLKMT2AALDH1A1
SCHEMBL30594079 0.77 MAPT (0.63) MAPTKDM4ERECQLKMT2AALDH1A1
Plumbagin SCHEMBL27811730 0.76 MAPT (0.96) MAPTKDM4ERECQLKMT2AALDH1A1
SCHEMBL31290244 0.74 MALT1 (0.71) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL4539611 0.74 MALT1 (0.71) MAPTKMT2AALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
EP-1860103-B1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE TAHEEBO JAPAN CO LTD (JP) 2012-05-16 EP disclosed
EP-1860103-B1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE TAHEEBO JAPAN CO LTD (JP) 2012-05-16 EP disclosed
CN-102432569-A Novel process for the preparation of tricyclic compounds with anticancer activity via alkyne coupling reactions TAHEEBO JAPAN CO LTD 2012-05-02 CN disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-7910752-B2 Anticancer compound, intermediate therefor, and processes for producing these TAHEEBO JAPAN CO., LTD. (JP) 2011-03-22 US disclosed
US-7910752-B2 Anticancer compound, intermediate therefor, and processes for producing these TAHEEBO JAPAN CO., LTD. (JP) 2011-03-22 US disclosed
US-7538234-B2 Preparation of Optically active 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4, 9-diones having anticancer activities TAHEEBO JAPAN CO., LTD. (JP) 2009-05-26 US disclosed
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These TAHEEBO JAPAN CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These TAHEEBO JAPAN CO., LTD. (JP) 2009-02-12 US disclosed
US-20080300415-A1 Preparation of optically active 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4, 9-diones having anticancer activities TAHEEBO JAPAN CO., LTD. (JP) 2008-12-04 US disclosed
CN-101142202-A Anticancer compound, intermediate therefor, and processes for producing these TAHEEBO JAPAN KABUSHIKI KAISHA (JP) 2008-03-12 CN disclosed
EP-1860103-A1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE Taheebo Japan Co., Ltd. (JP) 2007-11-28 EP disclosed
EP-1860103-A1 ANTICANCER COMPOUND, INTERMEDIATE THEREFOR, AND PROCESSES FOR PRODUCING THESE Taheebo Japan Co., Ltd. (JP) 2007-11-28 EP 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-20080300415-A1 Preparation of optically active 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4, 9-diones having anticancer activities DUT, PARP15, NQO1 MAPT 4825/4885KDM4E 2769/4885RECQL 1213/4885
US-20090042977-A1 Anticancer Compound, Intermediate Therefor, and Processes for Producing These NQO1, HADH, HADHB MAPT 3191/4885KDM4E 2203/4885RECQL 1735/4885
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAPT 4425/4885KDM4E 3707/4885RECQL 1367/4885

“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.