SCHEMBL10108972

SCHEMBL10108972

COc1cccc2c1[C@@H]1CCCC[C@@H]1CC2=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL318028 1.00 ACHE (0.47) ACHENPC1RAB9AHCRTR1HCRTR2
SCHEMBL6556404 0.80 HTR1A (0.43) ACHE
SCHEMBL6556401 0.80 HTR1A (0.43) ACHE
SCHEMBL6556484 0.80 HTR1A (0.43) ACHE
SCHEMBL6556408 0.80 HTR1A (0.43) ACHE
SCHEMBL10123120 0.79 NPC1 (0.38) ACHENPC1RAB9AKDM4ELMNA
SCHEMBL10109421 0.78 MEN1 (0.38) ACHENPC1KDM4ELMNAPOLB
SCHEMBL318776 0.78 MEN1 (0.38) ACHENPC1KDM4ELMNAPOLB
SCHEMBL10109131 0.77 ACHE (0.43) ACHENPC1RAB9AKDM4EMAPT
SCHEMBL317987 0.77 ACHE (0.43) ACHENPC1RAB9AKDM4EMAPT

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 ACHE 2396/4885NPC1 2576/4885RAB9A 4851/4885

“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.