SCHEMBL5582722

SCHEMBL5582722

COc1ccc(Oc2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.89
ATM Q13315 1/20 0.89
F3 P13726 2/20 0.68
SRD5A2 P31213 1/20 0.64
GSK3B P49841 2/20 0.64
BACE1 P56817 1/20 0.63
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
BCHE P06276 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
GAA P10253 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
XDH P47989 1/20 0.59

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
SCHEMBL879459 1.00 THRB (0.89) THRBATMF3SRD5A2GSK3B
4-Methoxycinnamic Acid SCHEMBL58700 0.94 THRB (1.00) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL58699 0.94 THRB (1.00) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL12473722 0.94 THRB (1.00) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL5330605 0.93 THRB (0.96) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL8500105 0.93 THRB (0.96) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL4654596 0.93 THRB (0.96) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL2298853 0.93 THRB (0.96) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL5330596 0.93 THRB (0.96) THRBATMF3GSK3BBACE1
4-Methoxycinnamic Acid SCHEMBL10935651 0.93 THRB (0.96) THRBATMF3GSK3BBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 THRB 90/4885ATM 2251/4885F3 2282/4885

“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.