SCHEMBL10037458

SCHEMBL10037458

O=C1c2cccc(O)c2C(=O)c2cc(-c3ccc(O)cc3)sc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
BACE1 P56817 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAOB P27338 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
STAT3 P40763 3/20 0.45
KDM4E B2RXH2 3/20 0.44
RECQL P46063 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL10037457 0.90 MAOA (0.58) MAOABACE1MAPTALDH1A1TSHR
SCHEMBL16656214 0.79 MAOA (0.70) MAOABACE1MAPTALDH1A1TSHR
SCHEMBL16656217 0.76 TTR (0.60) MAOAESR1ESR2BACE1MAPT
Anthrarufin SCHEMBL187843 0.75 MAOA (1.00) MAOAMAPTALDH1A1TSHRMAPK1
Anthrarufin SCHEMBL29363946 0.75 MAOA (1.00) MAOAMAPTALDH1A1TSHRMAPK1
Anthrarufin SCHEMBL29874705 0.75 MAOA (1.00) MAOAMAPTALDH1A1TSHRMAPK1
SCHEMBL10037453 0.75 MAOA (0.58) MAOAMAPTALDH1A1TSHRMAPK1
SCHEMBL10037460 0.75 MAOA (0.58) MAOAMAPTALDH1A1TSHRMAPK1
SCHEMBL10037462 0.73 MAOA (0.56) MAOAMAPTALDH1A1TSHRMAPK1
SCHEMBL10037461 0.73 MAOA (0.56) MAOAMAPTALDH1A1TSHRMAPK1

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 5 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
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

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 1290/4885ESR1 752/4885ESR2 139/4885

“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.