SCHEMBL3170245

SCHEMBL3170245

Cc1cc2ccccc2c(O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MPI P34949 1/20 0.46
NQO1 P15559 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
RCE1 Q9Y256 1/20 0.41
HTT P42858 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALOX5 P09917 1/20 0.41
BCL2L1 Q07817 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL15485758 0.88 NQO1 (0.50) ALDH1A1HPGDNQO1LMNACYP1A2
SCHEMBL30661016 0.82 CYP1A2 (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL28895790 0.82 CYP1A2 (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL460619 0.81 TRPM4 (0.52) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL19285741 0.81 CYP1A2 (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL19133218 0.81 ESR2 (0.54) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL2528719 0.80 PDE4B (0.47) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7915025 0.79 MEN1 (0.56) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3168976 0.79 CYP1A2 (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4172887 0.78 LMNA (0.54) KDM4EMAPTALDH1A1HPGDNQO1

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 5 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
CN-101006042-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2007-07-25 CN 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 KMT2A 3011/4885KDM4E 1631/4885MAPT 2697/4885

“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.