SCHEMBL868007

SCHEMBL868007

O=C1C(O)=C(I)C(=O)c2c(O)cccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.67
MAPT P10636 8/20 0.64
ALDH1A1 P00352 5/20 0.64
TDP1 Q9NUW8 5/20 0.64
MAPK1 P28482 4/20 0.64
HPGD P15428 4/20 0.64
ALOX15 P16050 4/20 0.64
HSD17B10 Q99714 4/20 0.64
TSHR P16473 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
MAOB P27338 2/20 0.64
HTT P42858 1/20 0.64
STAT3 P40763 1/20 0.51
KMT2A Q03164 8/20 0.50
KDM4E B2RXH2 6/20 0.50
RECQL P46063 6/20 0.50
POLB P06746 3/20 0.50
USP2 O75604 3/20 0.50
P2RX7 Q99572 1/20 0.50

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
SCHEMBL5818633 0.84 MAOA (0.78) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29363946 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL29874705 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL187843 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL30544826 0.79 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL28419741 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL27169537 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL29356886 0.79 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1
Anthrarufin SCHEMBL28196883 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1MAPK1
Danthron SCHEMBL83688 0.79 MAPT (1.00) MAOAMAPTALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919872-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-02-16 US disclosed
US-10738023-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-11 US disclosed
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
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 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-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

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-10738023-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance ADH1C, ADH5, ADH1A MAOA 341/4885MAPT 4210/4885ALDH1A1 10/4885
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAOA 1290/4885MAPT 4425/4885ALDH1A1 862/4885
US-10919872-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance ADH1C, ADH5, ADH1A MAOA 341/4885MAPT 4210/4885ALDH1A1 10/4885

“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.