SCHEMBL3686645

SCHEMBL3686645

CC(C)=CCC1=C(c2ccc(O)cc2)C2CCCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
DHODH Q02127 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
RPS6KA3 P51812 1/20 0.37
GLO1 Q04760 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ESR1 P03372 4/20 0.36

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
SCHEMBL3678729 0.81 ESR1 (0.31) ALDH1A1ESR1ESR2PDE4D
SCHEMBL3687669 0.74 HSD17B1 (0.40) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL3678586 0.73 ESR1 (0.33) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL3676121 0.73 ESR2 (0.36) MGAMGAASIMGAM2ESR1
SCHEMBL3683675 0.73 ESR2 (0.36) MGAMGAASIMGAM2ESR1
SCHEMBL3684902 0.73 ESR2 (0.36) MGAMGAASIMGAM2ESR1
SCHEMBL3681309 0.72 HSD17B10 (0.32) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL3681306 0.72 HSD17B10 (0.32) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL3688807 0.72 HSD17B10 (0.32) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL3681589 0.72 ESR2 (0.35) GAAESR1ESR2MAPK1PDE4D

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 6 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
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP claimed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO claimed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 MGAM 4115/4885GAA 3746/4885SI 4064/4885

“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.