SCHEMBL8749305

SCHEMBL8749305

O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.70
TSHR P16473 2/20 0.66
HSD11B1 P28845 1/20 0.60
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9272566 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749192 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8748855 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749153 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL2529216 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749130 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749014 0.98 BPTF (0.72) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL12204818 0.98 BPTF (0.72) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL2530415 0.87 TSHR (0.55) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL12216280 0.87 TSHR (0.55) BPTFTSHRHSD11B1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389505-B2 Adamantane derivatives of AZA-crown ethers and their use in treatment of tumor RUDJER BOSKOVIC INSTITUTE (HR) 2013-03-05 US disclosed
US-8389505-B2 Adamantane derivatives of AZA-crown ethers and their use in treatment of tumor RUDJER BOSKOVIC INSTITUTE (HR) 2013-03-05 US disclosed
US-20110257254-A1 Adamantane Derivatives Of Aza-Crown Ethers And Their Use In Treatment Of Tumor RUDJER BOSKOVIC INSTITUTE (HR) 2011-10-20 US disclosed
US-20110257254-A1 Adamantane Derivatives Of Aza-Crown Ethers And Their Use In Treatment Of Tumor RUDJER BOSKOVIC INSTITUTE (HR) 2011-10-20 US disclosed
EP-0599928-B1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS HOECHST AG (DE) 1997-03-19 EP disclosed
US-5445762-A Stabilized complex ligands and their use in liquid crystal displays HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0599928-A1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS. HOECHST AG (DE) 1994-06-08 EP disclosed
WO-1993004142-A1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed
EP-0528415-A1 Stabilized complex ligands and their use in liquid crystal displays HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-24 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 (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-20110257254-A1 Adamantane Derivatives Of Aza-Crown Ethers And Their Use In Treatment Of Tumor CASP6, CDA, CASP8 BPTF 4786/4885TSHR 859/4885HSD11B1 1462/4885

“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.