SCHEMBL1324883

SCHEMBL1324883

CCCCCOC1C2CC3CC(C2)CC1C3

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.48
EPHX2 P34913 6/20 0.38
FDFT1 P37268 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL19798421 0.94 GBA1 (0.41) GBA1EPHX2FDFT1NPSR1
SCHEMBL19798414 0.85 FDFT1 (0.40) GBA1EPHX2FDFT1
SCHEMBL19798747 0.77 FDFT1 (0.38) FDFT1
SCHEMBL19798406 0.76 FDFT1 (0.35) FDFT1
SCHEMBL92309 0.75 FDFT1 (0.35) EPHX2FDFT1ALDH1A1
SCHEMBL19798422 0.74 FDFT1 (0.39) FDFT1CNR2
SCHEMBL16566372 0.71 FDFT1 (0.36) FDFT1ALDH1A1
SCHEMBL29226312 0.71 FDFT1 (0.40) FDFT1
SCHEMBL19798413 0.71 FDFT1 (0.37) FDFT1NPSR1ALDH1A1
SCHEMBL5164652 0.71 GBA1 (0.39) GBA1EPHX2ALDH1A1TDP1

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 5 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 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
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

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 GBA1 519/4885EPHX2 1205/4885FDFT1 121/4885

“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.