SCHEMBL2180695

SCHEMBL2180695

COc1ccc2c(c1)CCC(Br)=C2Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HRH3 Q9Y5N1 5/20 0.57
LTA4H P09960 5/20 0.51
PTGS2 P35354 1/20 0.51
MAOB P27338 1/20 0.49
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL2181323 0.85 EBP (0.60) EBPSIGMAR1HRH3LTA4HMAOB
SCHEMBL2179337 0.85 EBP (0.57) EBPSIGMAR1HRH3LTA4HMAOB
SCHEMBL113833 0.84 EBP (0.73) EBPSIGMAR1HRH3LTA4HMAOB
SCHEMBL3118394 0.80 EBP (0.64) EBPSIGMAR1HRH3ESR1ESR2
SCHEMBL4163770 0.78 MAOB (0.64) EBPSIGMAR1HRH3MAOB
SCHEMBL3839239 0.77 LTA4H (0.52) EBPSIGMAR1HRH3LTA4HPTGS2
SCHEMBL8015672 0.77 EBP (0.88) EBPSIGMAR1HRH3LTA4HESR1
SCHEMBL114809 0.76 EBP (0.65) EBPSIGMAR1HRH3LTA4HMAOB
SCHEMBL7213535 0.75 EBP (0.76) EBPSIGMAR1HRH3LTA4HMAOB
Nafoxidine SCHEMBL10563464 0.75 EBP (1.00) EBPSIGMAR1HRH3LTA4HESR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
EP-2342189-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF OSTEOARTHRITIS ELI LILLY AND COMPANY (US) 2011-07-13 EP disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
WO-2010036497-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2010-04-01 WO disclosed
WO-2010036497-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2010-04-01 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-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ESRRA, GPER1, ESR2 EBP 120/4885SIGMAR1 391/4885HRH3 2845/4885

“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.