SCHEMBL3178405

SCHEMBL3178405

COc1ccc2c(O)c(-c3cccc(F)c3)c(C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 3/20 0.43
NFE2L2 Q16236 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RELA Q04206 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL3162945 0.89 ACLY (0.43) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3168976 0.85 CYP1A2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2CYP11B1
SCHEMBL3178792 0.82 MAOB (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1358534 0.82 TUBB4A (0.46) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL3171995 0.71 MAOB (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL16428843 0.70 CYP1A1 (0.53) KDM4EALDH1A1LMNAHPGDMAPK1
SCHEMBL3170125 0.70 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2CYP11B1
SCHEMBL6050101 0.70 CYP1A2 (0.49) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL12732311 0.69 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL15624598 0.69 NFE2L2 (0.59) KDM4EALDH1A1LMNAHPGDMAPK1

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-7649093-B2 (2E)-3-[4-[(6-hydroxy-3-methyl-2-phenyl-1-naphthalenyl)oxy]-2-(trifluoromethyl)phenyl]-2-propenoic acid; menopausal or postmenopausal disorders, vasomotor symptoms, vaginal atrophy, atrophic vaginitis, endometriosis, female sexual dysfunction, breast cancer, depression, diabetes, osteoporosis Glaxo Smith Kline LLC (US) 2010-01-19 US disclosed
US-20070276000-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2007-11-29 US disclosed
EP-1773750-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-18 EP disclosed
WO-2006002185-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 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-20070276000-A1 CHEMICAL COMPOUNDS GPER1, ESR2, ESR1 KDM4E 1631/4885ALDH1A1 586/4885LMNA 3776/4885

“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.