SCHEMBL6151744

SCHEMBL6151744

O=Cc1cc(-c2ccccc2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ERN1 O75460 1/20 0.43
HTR2A P28223 8/20 0.41
SLC6A4 P31645 8/20 0.41
KCNH2 Q12809 6/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMO O15229 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5321373 0.82 LMNA (0.61) KMT2AALDH1A1MAPTLMNAGAA
SCHEMBL4939724 0.78 HTR2A (0.53) KMT2AALDH1A1MAPTLMNAGAA
SCHEMBL2881823 0.78 HTR2A (0.53) ALDH1A1ERN1HTR2ASLC6A4KCNH2
SCHEMBL10041726 0.77 ESR2 (0.47) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL5837555 0.75 HTR2A (0.56) KMT2AALDH1A1MEN1HTR2ASLC6A4
SCHEMBL5837334 0.75 HTR2A (0.57) HTR2ASLC6A4KCNH2KMO
SCHEMBL12952951 0.74 KMT2A (0.50) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL31241184 0.74 LMNA (0.79) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL31287740 0.74 TUBB1 (0.49) ALDH1A1KDM4EERN1HTR2ASLC6A4
SCHEMBL14103072 0.73 NCOA1 (0.49) KMT2AALDH1A1LMNAGAAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 US disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 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-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 KMT2A 1923/4885ALDH1A1 256/4885KDM4E 1469/4885

“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.