SCHEMBL4253014

SCHEMBL4253014

O=c1c(-c2cccc(Oc3ccccc3)c2)c(O)[nH]c2cc(Cl)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
KMT2A Q03164 1/20 0.72
HSD17B10 Q99714 1/20 0.72
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL1998890 0.84 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL29457697 0.84 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL29580184 0.84 CYP1A2 (1.00) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8923677 0.79 CYP1A2 (0.76) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8544041 0.79 CYP1A2 (0.79) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8542210 0.76 KDM4E (0.61) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8784175 0.76 CYP1A2 (0.84) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8783900 0.76 CYP1A2 (0.84) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8924229 0.76 CYP1A2 (0.69) CYP1A2KDM4EMEN1CYP2D6CYP2C19
SCHEMBL8784335 0.74 CYP1A2 (0.82) CYP1A2KDM4EMEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004112-A1 METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES USING NMDA RECEPTOR GLYCINE SITE ANTAGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-01-01 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-20090004112-A1 METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES USING NMDA RECEPTOR GLYCINE SITE ANTAGONISTS GRIN2A, GRIN2B, GRIN2D CYP1A2 4820/4885KDM4E 2103/4885MEN1 4391/4885

“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.