SCHEMBL718653

SCHEMBL718653

COCCOc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.57
MAOA P21397 3/20 0.57
PPARD Q03181 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL31254045 0.88 MAOB (0.56) MAOBMAOAPPARDALDH1A1CYP3A4
SCHEMBL8417746 0.87 MCL1 (0.53) PPARDALDH1A1HPGD
SCHEMBL3210641 0.87 MAOB (0.65) MAOBMAOAPPARDALDH1A1CYP3A4
SCHEMBL10468411 0.86 CHEK1 (0.50) MAOBMAOAALDH1A1HPGD
SCHEMBL24474194 0.85 MAOB (0.58) MAOBMAOAPPARDALDH1A1CYP3A4
SCHEMBL12428818 0.85 MAOB (0.58) MAOBMAOAPPARD
SCHEMBL1415014 0.85 MAOB (0.58) MAOBMAOAPPARD
SCHEMBL27834118 0.84 HMGCR (0.47) MAOBMAOAALDH1A1HPGD
SCHEMBL28474199 0.84 MAOB (0.57) MAOBMAOAPPARD
SCHEMBL7404629 0.83 MAOB (0.60) MAOBMAOAPPARDALDH1A1CYP3A4

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAOB 2146/4885MAOA 2615/4885PPARD 66/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAOB 2146/4885MAOA 2615/4885PPARD 66/4885

“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.