SCHEMBL1300529

SCHEMBL1300529

O=[N+]([O-])c1ccc(Oc2cc[c]cc2)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
AR P10275 1/20 0.41
BACE1 P56817 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
PIN1 Q13526 2/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL646471 0.91 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30061165 0.91 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7552860 0.91 MEN1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27863231 0.90 POLB (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27581338 0.89 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL12734031 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5344847 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7907625 0.84 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL564577 0.83 MEN1 (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL564301 0.83 POLB (0.48) MEN1KMT2ANPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US claimed
JP-2011529031-A 2011-12-01 JP claimed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US claimed
EP-2318355-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP claimed
WO-2010010174-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP disclosed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US disclosed
CN-101128514-B Benzoxazole resin precursor, polybenzoxazole resin, resin film and semiconductor device SUMITOMO BAKELITE CO 2011-05-25 CN disclosed
EP-2318355-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
WO-2010010174-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
CN-101128514-A Benzoxazole resin precursor, polybenzoxazole resin, resin film and semiconductor device SUMITOMO BAKELITE CO (JP) 2008-02-20 CN 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-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 MEN1 1772/4885KMT2A 3062/4885NPC1 299/4885

“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.