SCHEMBL899749

SCHEMBL899749

CCOC(=O)CCC1CC2CC1CC2c1ccc(O)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 1/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
NLRP3 Q96P20 2/20 0.32
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31

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
SCHEMBL8511857 0.87 ESR1 (0.35) SLC6A4SLC6A3MEN1KMT2A
SCHEMBL899740 0.81 MEN1 (0.35) HSP90AA1MEN1KMT2ATHRATHRB
SCHEMBL899901 0.79 TRPV1 (0.34) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL899180 0.79 TRPV1 (0.34) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL899694 0.78 MEN1 (0.42) HSP90AA1HSP90AB1SLC6A4SLC6A3MEN1
SCHEMBL899747 0.73 LTB4R (0.34) HSP90AA1HSP90AB1MEN1KMT2ATHRA
SCHEMBL899552 0.73 MEN1 (0.30) MEN1KMT2A
SCHEMBL8509258 0.72
SCHEMBL8509163 0.72
SCHEMBL899729 0.72 MEN1 (0.31) MEN1KMT2A

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 8 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-20130323640-A1 Preparation of Norbornane-based PAC Ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2013-12-05 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 HSP90AA1 986/4885HSP90AB1 735/4885SLC6A4 896/4885

“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.