SCHEMBL5355533

SCHEMBL5355533

COc1ccc(C(=O)CCCCCBr)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.63
WNT3A P56704 3/20 0.63
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL27200216 1.00 CTNNB1 (0.63) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL9119840 0.98 CTNNB1 (0.65) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL31556194 0.94 CTNNB1 (0.71) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL31556192 0.92 CTNNB1 (0.73) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL14483927 0.89 CTNNB1 (0.69) CTNNB1WNT3AMAPTTSHRCYP1A2
SCHEMBL9588048 0.88 THRA (0.66) CTNNB1WNT3ATHRATHRBPDE4B
SCHEMBL7389336 0.87 HTT (0.56) CTNNB1WNT3AMAPTALDH1A1ACHE
SCHEMBL9558246 0.87 HPGD (0.50) CTNNB1WNT3ACYP1A2CYP2C19ALDH1A1
SCHEMBL7393792 0.87 POLB (0.49) CTNNB1WNT3AMAPTALDH1A1POLB
SCHEMBL11612755 0.86 CTNNB1 (0.61) CTNNB1WNT3AMAPTTSHRCYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
EP-1181294-B1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-03-31 EP disclosed
US-20030199493-A1 Novel derivatives and analogues of galanthamin SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2003-10-23 US disclosed
EP-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO disclosed
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP disclosed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP disclosed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed
EP-0372385-A2 Naphthalene carboxylic acids, their preparation and application as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 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 (2 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-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 CTNNB1 2440/4885WNT3A 707/4885MAPT 433/4885
US-20030199493-A1 Novel derivatives and analogues of galanthamin GALR1, GALNT1, GALK1 CTNNB1 695/4885WNT3A 341/4885MAPT 2569/4885

“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.