SCHEMBL2958271

SCHEMBL2958271

CN(C)CCOc1ccc([C]=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
LTA4H P09960 2/20 0.58
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL5221545 0.91 KDM4E (0.65) HRH3KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL3074697 0.86 KDM4E (0.59) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL8995210 0.81 MCHR1 (0.60) HRH3LTA4HCYP1A2CYP2C19
SCHEMBL5214429 0.81 CHRNB2 (0.59) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL4087894 0.81 HRH3 (0.59) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL8995206 0.80 ESR1 (0.40) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL12924998 0.79 HRH3 (0.53) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL2121391 0.78 LTA4H (0.53) LTA4HKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL14922323 0.78 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL91406 0.78 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP 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 (4 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 HRH3 523/4885LTA4H 886/4885KEAP1 1795/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 HRH3 1097/4885LTA4H 1438/4885KEAP1 1051/4885
US-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 HRH3 2604/4885LTA4H 699/4885KEAP1 1820/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 HRH3 1108/4885LTA4H 1094/4885KEAP1 842/4885

“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.