SCHEMBL6448469

SCHEMBL6448469

[CH2]C1COc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.49
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.40
OXTR P30559 1/20 0.39
MAOB P27338 4/20 0.38
TP53 P04637 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL225938 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL2732387 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL18286810 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL24214452 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL7587627 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL25082548 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL14395682 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL10754929 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL14120418 0.75 PLAU (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL29433047 0.75 PLAU (0.45) NISCHSIGMAR1HTR1AOXTRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP claimed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US claimed
WO-1998002435-A1 NOVEL BENZODIOXANES AND 1-(2H)-BENZOPYRANES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-01-22 WO claimed
CN-1090282-A The cycloalkyl that benzenefused, hydroxy replaces and the sulfone amide derivative of heterogeneous ring compound PFIZER (US) 1994-08-03 CN claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1044985-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2000-10-18 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
WO-1998002435-A1 NOVEL BENZODIOXANES AND 1-(2H)-BENZOPYRANES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-01-22 WO disclosed
WO-1998002435-A1 NOVEL BENZODIOXANES AND 1-(2H)-BENZOPYRANES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-01-22 WO disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
CN-1090577-A Enantiomorph is suitable-3-(4,6-dihydroxyl benzo dihydropyrane-3-ylmethyl) phenylformic acid PFIZER (US) 1994-08-10 CN disclosed
CN-1090282-A The cycloalkyl that benzenefused, hydroxy replaces and the sulfone amide derivative of heterogeneous ring compound PFIZER (US) 1994-08-03 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 NISCH 4089/4885SIGMAR1 4151/4885HTR1A 1556/4885

“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.