SCHEMBL899697

SCHEMBL899697

Cc1cc(O)c(C2CCCCC2)cc1C1(c2ccc(O)c(C3CCCCC3)c2)CC2CC1CC2c1ccc(C2CC3CC2CC3(c2cc(C3CCCCC3)c(O)cc2C)c2cc(C3CCCCC3)c(O)cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL899566 0.85 MEN1 (0.31)
SCHEMBL899928 0.85 ESR1 (0.38) NUDT1BACE1HSP90AA1
SCHEMBL8512609 0.75 ESR1 (0.42)
SCHEMBL899859 0.72 ESR2 (0.39)
SCHEMBL9608272 0.72 ESR1 (0.43)
SCHEMBL9608266 0.72 ESR1 (0.43)
SCHEMBL8509615 0.72 ESR1 (0.43)
SCHEMBL902985 0.69 ESR1 (0.40)
SCHEMBL8512038 0.69 NUDT1 (0.36) NUDT1BACE1HSP90AA1
SCHEMBL4606879 0.65 NUDT1 (0.33) NUDT1BACE1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9261781-B2 Preparation of norbornane-based PAC ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2016-02-16 US claimed
US-9261781-B2 Preparation of norbornane-based PAC ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2016-02-16 US disclosed
US-20130323640-A1 Preparation of Norbornane-based PAC Ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2013-12-05 US disclosed
US-8530133-B2 Preparation of norbornane-based PAC ballasts PROMERUS, LLC (US) 2013-09-10 US disclosed
EP-2622410-A1 NORBORNANE-BASED PAC BALLAST AND POSITIVE-TONE PHOTOSENSITIVE RESIN COMPOSITION ENCOMPASSING THE PAC Promerus, LLC (US) 2013-08-07 EP disclosed
US-20120135352-A1 Preparation of Norbornane-based PAC Ballasts PROMERUS LLC (US) 2012-05-31 US disclosed
WO-2012044719-A1 NORBORNANE-BASED PAC BALLAST AND POSITIVE-TONE PHOTOSENSITIVE RESIN COMPOSITION ENCOMPASSING THE PAC PROMERUS LLC (US) 2012-04-05 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-20120135352-A1 Preparation of Norbornane-based PAC Ballasts NBAS, PHB2, BDNF NUDT1 35/4885BACE1 2616/4885HSP90AA1 986/4885

“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.