SCHEMBL12415295

SCHEMBL12415295

OC/N=C\c1c(-c2cc[nH]n2)n(-c2ccc(O)cc2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ESR2 Q92731 3/20 0.33
POLB P06746 1/20 0.33
KLK7 P49862 1/20 0.33
ESR1 P03372 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK2 P24941 1/20 0.31
LMNA P02545 2/20 0.30
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2146468 0.88 ESR2 (0.35) MEN1KMT2AESR2POLBKLK7
SCHEMBL2146463 0.88 ESR2 (0.35) MEN1KMT2AESR2POLBKLK7
SCHEMBL2146781 0.83 ALDH1A1 (0.37) MEN1KMT2AESR2POLBKLK7
SCHEMBL1076967 0.74 KDM4E (0.40) MEN1KMT2AESR2POLBKLK7
SCHEMBL2146432 0.67 MAPT (0.46) MEN1KMT2AESR2POLBKLK7
SCHEMBL2146435 0.67 MAPT (0.46) MEN1KMT2AESR2POLBKLK7
SCHEMBL2146596 0.66 HPGD (0.36) MEN1KMT2AESR2POLBESR1
SCHEMBL2146591 0.66 HPGD (0.36) MEN1KMT2AESR2POLBESR1
SCHEMBL2147712 0.64 LIG1 (0.37) MEN1KMT2AESR2POLBESR1
SCHEMBL2147708 0.64 LIG1 (0.37) MEN1KMT2AESR2POLBESR1

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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 MEN1 2586/4885KMT2A 1814/4885ESR2 4/4885

“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.