SCHEMBL8784175

SCHEMBL8784175

COc1ccc(Oc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.84
KDM4E B2RXH2 1/20 0.84
MEN1 O00255 1/20 0.84
CYP2D6 P10635 1/20 0.84
CYP2C19 P33261 1/20 0.84
KMT2A Q03164 1/20 0.84
HSD17B10 Q99714 1/20 0.84
POLB P06746 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
TSHR P16473 1/20 0.72
BLM P54132 1/20 0.72

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
SCHEMBL8784335 0.95 CYP1A2 (0.82) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8783422 0.92 KDM4E (0.77) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8783900 0.92 CYP1A2 (0.84) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL1998890 0.91 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL29457697 0.91 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL29580184 0.91 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8784076 0.88 CYP1A2 (0.77) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8784597 0.86 CYP1A2 (0.74) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8069028 0.86 CYP1A2 (0.74) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8784053 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP claimed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US claimed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP claimed
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS UNIV NORTHWESTERN (US) 2017-03-16 US disclosed
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS UNIV NORTHWESTERN (US) 2017-03-16 US disclosed
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP disclosed
US-5559125-A NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA MERCK, SHARP & DOHME LIMITED (GB) 1996-09-24 US disclosed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 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-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS GRIN1, GRIN2A, GRIN3A CYP1A2 4176/4885KDM4E 1948/4885MEN1 4095/4885

“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.