SCHEMBL7112415

SCHEMBL7112415

O=C1Cc2cc(-c3ccccc3)ccc2Oc2cc(O)c(O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.40
ALOX5 P09917 1/20 0.40
ACMSD Q8TDX5 3/20 0.39
HNF4A P41235 2/20 0.39
DHFR P00374 1/20 0.39
MCL1 Q07820 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
HSD17B1 P14061 2/20 0.36
BACE1 P56817 1/20 0.36
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL7112833 0.83 MAOA (0.50) MCL1HDAC4HDAC2HDAC8MAOA
SCHEMBL14098172 0.82 PLK1 (0.45) TDP2ALOX5ACMSDHNF4ADHFR
SCHEMBL14098160 0.79 CYP19A1 (0.45) HSD17B1
SCHEMBL14098129 0.79 CYP19A1 (0.45) HSD17B1
SCHEMBL7112746 0.79 NOTUM (0.36) MAOB
SCHEMBL7112749 0.79 AR (0.41) MAOAMAOB
SCHEMBL7110714 0.79 ALOX15 (0.39) MCL1MAOAMAOB
SCHEMBL9640935 0.77 MAOA (0.52) TDP2ALOX5PARP10PARP11MAOA
SCHEMBL7116108 0.76 ALDH1A1 (0.40) HDAC4HDAC2HDAC8
SCHEMBL7114542 0.75 MEN1 (0.45) TDP2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 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 (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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B TDP2 4001/4885ALOX5 1061/4885ACMSD 726/4885

“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.