SCHEMBL7110728

SCHEMBL7110728

COc1ccc2c(c1OC)Oc1ccccc1CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
MAOB P27338 4/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7115393 0.80 MAOB (0.40) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL4098612 0.76 HPGD (0.39) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL7108704 0.76 MAOA (0.46) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL1889028 0.73 KMT2A (0.49) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL7110536 0.71 PSMB5 (0.49) MAOBKDM4EMAPTPOLBMAOA
SCHEMBL5657956 0.71 CYP19A1 (0.47) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL7115666 0.71 GAA (0.44) MAOBKDM4EALDH1A1MAPTRAB9A
SCHEMBL11098242 0.70 DRD1 (0.46) MAOBALDH1A1MAPTKMT2ACYP2D6
SCHEMBL5758407 0.70 MAOB (0.53) PTGS2MAOBKDM4EALDH1A1HPGD
SCHEMBL28330841 0.70 KDM4E (0.51) MAOBKDM4EALDH1A1HPGDMAPT

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 6 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
EP-0805155-B1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA LTD (JP) 2002-03-13 EP 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
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 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 PTGS2 200/4885MAOB 2228/4885KDM4E 680/4885

“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.