SCHEMBL318188

SCHEMBL318188

COc1ccc2c(c1)C1CCCCC1C(c1ccc(OC)c(F)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
RIPK1 Q13546 1/20 0.40
ESR2 Q92731 1/20 0.39
KMT2A Q03164 2/20 0.35
PPOX P50336 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOB P27338 3/20 0.34
FADS1 O60427 1/20 0.34
CYP19A1 P11511 1/20 0.34
SCD O00767 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL10108927 1.00 KDM1A (0.41) KDM1ARIPK1ESR2KMT2APPOX
SCHEMBL317798 0.86 ESR2 (0.49) ESR2KMT2APTGDR2CYP3A4MAPT
SCHEMBL10108815 0.86 ESR2 (0.49) ESR2KMT2APTGDR2CYP3A4MAPT
SCHEMBL10108855 0.84 ESR2 (0.49) KDM1AESR2CYP3A4MAPTSMN1; SMN2
SCHEMBL319627 0.84 ESR2 (0.49) KDM1AESR2CYP3A4MAPTSMN1; SMN2
SCHEMBL318386 0.77 ESR2 (0.42) ESR2KMT2ACYP3A4MAPTSMN1; SMN2
SCHEMBL10109009 0.77 ESR2 (0.42) ESR2KMT2ACYP3A4MAPTSMN1; SMN2
SCHEMBL10108941 0.77 KDM1A (0.46) KDM1ARIPK1KMT2AMEN1SLC6A2
SCHEMBL317854 0.75 KDM1A (0.41) KDM1ARIPK1KMT2APPOXPTGDR2
SCHEMBL10108932 0.75 KDM1A (0.41) KDM1ARIPK1KMT2APPOXPTGDR2

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG KDM1A 2085/4885RIPK1 3725/4885ESR2 1/4885

“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.