SCHEMBL3723397

SCHEMBL3723397

Cc1ccsc1C1=C(c2ccc(O)cc2)C2CCCC2C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
QPCT Q16769 1/20 0.32
PGR P06401 1/20 0.32
CHEK1 O14757 1/20 0.32
ABL1 P00519 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
NEK1 Q96PY6 1/20 0.31

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
SCHEMBL3646252 0.83 L3MBTL1 (0.36) ALDH1A1MAPTPTGS2ESR2CHEK1
SCHEMBL3682112 0.78 ESR1 (0.38) ALDH1A1ESR1ESR2ABL1MEN1
SCHEMBL3682703 0.77 NPC1 (0.37) ALDH1A1MAPTPTGS2NPC1RAB9A
SCHEMBL3682999 0.75 ERN1 (0.35) PTGS2ESR1ESR2MEN1KMT2A
SCHEMBL3680426 0.74 MMP3 (0.41) MAPTPTGS2RAB9AESR1ESR2
SCHEMBL3689515 0.72 BRD4 (0.43)
SCHEMBL3676891 0.71 MAPT (0.38) ALDH1A1MAPTNPC1NFKB1RAB9A
SCHEMBL3684902 0.70 ESR2 (0.36) ESR1ESR2GAAALOX15KDM1A
SCHEMBL3683675 0.70 ESR2 (0.36) ESR1ESR2GAAALOX15KDM1A
SCHEMBL3676121 0.70 ESR2 (0.36) ESR1ESR2GAAALOX15KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US claimed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 ALDH1A1 3055/4885MAPT 4240/4885PTGS2 3726/4885

“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.