SCHEMBL10109119

SCHEMBL10109119

COc1ccc(OC)c([C@@H]2CCC[C@@H]2CC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.40
HTR2C P28335 3/20 0.39
FFAR1 O14842 1/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.37

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
SCHEMBL318067 1.00 MTNR1A (0.45) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL319095 0.83 PTGDR2 (0.54) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL10109126 0.83 PTGDR2 (0.54) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL10109112 0.82 MTNR1A (0.48) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL318220 0.82 MTNR1A (0.48) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL10108965 0.80 HTR2C (0.48) HTR2CMEN1KMT2AHTR2A
SCHEMBL10674865 0.80 HTR2C (0.48) HTR2CMEN1KMT2AHTR2A
SCHEMBL316665 0.80 HTR2C (0.48) HTR2CMEN1KMT2AHTR2A
SCHEMBL318191 0.79 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2NOS3NOS1
SCHEMBL10109118 0.79 MTNR1A (0.42) MTNR1AMTNR1BPTGDR2NOS3NOS1

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 MTNR1A 245/4885MTNR1B 212/4885PTGDR2 485/4885

“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.