SCHEMBL867205

SCHEMBL867205

O=C1c2cccc(O)c2C(=O)c2ccoc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.66
MAPT P10636 7/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 3/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 3/20 0.58
LMNA P02545 2/20 0.58
MAOB P27338 2/20 0.58
HTT P42858 1/20 0.58
STAT3 P40763 3/20 0.54
PTPRC P08575 1/20 0.50
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 5/20 0.49
RECQL P46063 5/20 0.49
CYP3A4 P08684 3/20 0.49

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
Anthrarufin SCHEMBL187843 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL29363946 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL29874705 0.81 MAOA (1.00) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL28196883 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL28419741 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL27169537 0.79 MAOA (0.95) MAOAMAPTALDH1A1TDP1TSHR
SCHEMBL4402747 0.77 MAOA (0.91) MAOAMAPTALDH1A1TDP1TSHR
Anthrarufin SCHEMBL25355428 0.75 MAOA (0.86) MAOAMAPTALDH1A1TDP1TSHR
1-Hydroxyanthraquinone SCHEMBL145303 0.75 MAOA (0.86) MAOAMAPTALDH1A1TDP1TSHR
1-Hydroxyanthraquinone SCHEMBL30912125 0.75 MAOA (0.86) MAOAMAPTALDH1A1TDP1TSHR

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 8 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
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 (1 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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAOA 1290/4885MAPT 4425/4885ALDH1A1 862/4885

“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.