SCHEMBL3168438

SCHEMBL3168438

Oc1c(-c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ GAA P10253 4/20 0.44
▸ MGAM O43451 3/20 0.44
▸ SI P14410 3/20 0.44
▸ MGAM2 Q2M2H8 3/20 0.44
▸ AR P10275 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ MCL1 Q07820 2/20 0.43

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
SCHEMBL3183704 0.82 ESR1 (0.49) CYP1A2CYP2C19HIF1AALOX5KDM4E
SCHEMBL3173372 0.81 NR1H2 (0.42) NR1H2NR1H3GAAMGAMSI
SCHEMBL3163377 0.78 RAB9A (0.46) NR1H2NR1H3ARMAOBGSTP1
SCHEMBL3179783 0.77 NR1H2 (0.49) LMNANR1H2NR1H3ARMAOB
SCHEMBL6087461 0.74 ALOX5 (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6086405 0.73 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30662424 0.71 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6086702 0.70 MGAM (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1359809 0.70 ALOX5 (0.51) GAAMGAMSIMGAM2ALOX5
SCHEMBL695145 0.70 AR (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 LMNA 3776/4885CYP1A2 262/4885PTGS1 112/4885

“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.

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