SCHEMBL138151

SCHEMBL138151

Cc1ccc(C(C)(C)OC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 2/20 0.35
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 4/20 0.31
PKM P14618 2/20 0.31
HTT P42858 2/20 0.31
ATM Q13315 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL17188542 0.81 ESR1 (0.48) TSHRTDP1KDM4EALDH1A1CYP3A4
SCHEMBL135668 0.80 MAPK1 (0.56) CYP2A6TDP1MAPTMAPK1ALDH1A1
SCHEMBL10245982 0.78 ALDH1A1 (0.42) TSHRTDP1MAPTCA2SMN1; SMN2
SCHEMBL10245980 0.78 ALDH1A1 (0.42) TSHRCYP2A6TDP1MAPK1ALDH1A1
SCHEMBL202261 0.78 MAPK1 (0.43) TDP1NPC1MAPTMAPK1KDM4E
SCHEMBL1456487 0.77 TDP1 (0.42) TDP1NPC1RAB9AMAPTMAPK1
SCHEMBL6776986 0.76 MEN1 (0.41) TSHRCYP2A6TDP1ACHEMAPK1
SCHEMBL4670014 0.76 TSHR (0.40) TSHRCYP2A6TDP1NPC1RAB9A
SCHEMBL25689797 0.75 EPHX2 (0.44) TDP1MAPTKDM4EGAAKMT2A
SCHEMBL11152162 0.74 MAPK1 (0.59) TSHRCYP2A6TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788353-B1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2022-05-18 EP claimed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US claimed
US-20060276642-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-07 US claimed
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-09-21 US claimed
EP-1666452-A2 Compounds to treat Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
US-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
EP-1299352-B1 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2005-12-28 EP claimed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US claimed
JP-2004502669-A 2004-01-29 JP claimed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP claimed
US-20030013881-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-01-16 US claimed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 TSHR 4555/4885CYP2A6 162/4885TDP1 570/4885
US-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE TSHR 4315/4885CYP2A6 146/4885TDP1 1331/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TSHR 3725/4885CYP2A6 861/4885TDP1 671/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TSHR 3979/4885CYP2A6 126/4885TDP1 1064/4885
US-20030013881-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BACE1 TSHR 4246/4885CYP2A6 149/4885TDP1 589/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT TSHR 3899/4885CYP2A6 849/4885TDP1 979/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 TSHR 4555/4885CYP2A6 162/4885TDP1 570/4885
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease PSEN2, PSEN1, CHAT TSHR 3119/4885CYP2A6 648/4885TDP1 1316/4885

“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.