SCHEMBL10108932

SCHEMBL10108932

COc1ccc2c(c1)[C@@H]1CCCC[C@@H]1C(c1ccc(OC)c(F)c1)C2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
RIPK1 Q13546 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SCD O00767 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 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
SCHEMBL317854 1.00 KDM1A (0.41) KDM1ARIPK1PTGDR2NOS3NOS1
SCHEMBL318060 0.86 NOS3 (0.41) KDM1APTGDR2NOS3NOS1NOS2
SCHEMBL10108818 0.86 NOS3 (0.41) KDM1APTGDR2NOS3NOS1NOS2
SCHEMBL10108851 0.84 NOS3 (0.44) KDM1ANOS3NOS1NOS2KMT2A
SCHEMBL318167 0.84 NOS3 (0.44) KDM1ANOS3NOS1NOS2KMT2A
SCHEMBL318621 0.81 NOS3 (0.41) KDM1APTGDR2NOS3NOS1NOS2
SCHEMBL10109008 0.81 NOS3 (0.41) KDM1APTGDR2NOS3NOS1NOS2
SCHEMBL10108941 0.78 KDM1A (0.46) KDM1ARIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL318188 0.75 KDM1A (0.41) KDM1ARIPK1PTGDR2SLC6A2SLC6A4
SCHEMBL10108927 0.75 KDM1A (0.41) KDM1ARIPK1PTGDR2SLC6A2SLC6A4

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 4 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-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
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 3725/4885PTGDR2 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.