SCHEMBL138150

SCHEMBL138150

Cc1ccc(C(C)(C)O[C]=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
BCHE P06276 1/20 0.31
KIF11 P52732 2/20 0.31
CYP19A1 P11511 1/20 0.31
LMNA P02545 3/20 0.30

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
SCHEMBL135667 0.80 MAPK1 (0.56) TSHRMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL9461 0.78 MAPK1 (0.43) NPC1MAPTMAPK1ALDH1A1GAA
SCHEMBL1456484 0.77 CYP19A1 (0.41) RAB9AMAPK1ALDH1A1ALOX15KIF11
SCHEMBL5048108 0.77 TSHR (0.39) TSHRNPC1MAPTRAB9ACA1
SCHEMBL6776985 0.76 TSHR (0.40) TSHRACHEMAPK1ALDH1A1CYP3A4
SCHEMBL4670012 0.76 TSHR (0.40) TSHRNPC1MAPTRAB9ACA1
SCHEMBL11152162 0.74 MAPK1 (0.59) TSHRNPC1MAPTRAB9ACA1
SCHEMBL21845090 0.74 TSHR (0.57) TSHRNPC1MAPTRAB9ACA1
SCHEMBL4669940 0.74 TSHR (0.37) TSHRNPC1MAPTRAB9ACA1
SCHEMBL4669969 0.74 TSHR (0.38) TSHRNPC1MAPTRAB9ACA1

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 729 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
EP-1493747-B1 PROCESS FOR PRODUCING MODIFIED PEPTIDE DAIICHI SANKYO CO LTD (JP) 2012-12-19 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
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 4555/4885NPC1 24/4885MAPT 11/4885
US-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE TSHR 4315/4885NPC1 31/4885MAPT 10/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TSHR 3725/4885NPC1 64/4885MAPT 6/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TSHR 3979/4885NPC1 195/4885MAPT 10/4885
US-20030013881-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BACE1 TSHR 4246/4885NPC1 107/4885MAPT 11/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT TSHR 3899/4885NPC1 16/4885MAPT 5/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 TSHR 4555/4885NPC1 24/4885MAPT 11/4885
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease PSEN2, PSEN1, CHAT TSHR 3119/4885NPC1 130/4885MAPT 6/4885

“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.