SCHEMBL903020

SCHEMBL903020

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)C1CC2CCC1C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 6/20 0.32
MEN1 O00255 4/20 0.32
POLB P06746 3/20 0.32
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 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
SCHEMBL3364355 0.78 NUDT1 (0.39) LMNAKMT2AMEN1NUDT1BACE1
SCHEMBL3181813 0.76 NUDT1 (0.40) KMT2AMEN1NUDT1BACE1HSP90AA1
SCHEMBL278769 0.76 NUDT1 (0.40) KMT2AMEN1NUDT1BACE1HSP90AA1
SCHEMBL899712 0.76 MEN1 (0.38) KMT2AMEN1NUDT1BACE1HSP90AA1
SCHEMBL30060700 0.76 NUDT1 (0.37) LMNAKMT2AMEN1NUDT1BACE1
SCHEMBL278543 0.76 NUDT1 (0.37) LMNAKMT2AMEN1NUDT1BACE1
SCHEMBL29623069 0.76 NUDT1 (0.37) LMNAKMT2AMEN1NUDT1BACE1
SCHEMBL15253181 0.75 NUDT1 (0.39) KMT2AMEN1NUDT1BACE1HSP90AA1
SCHEMBL8512087 0.74 NPC1 (0.39) NPC1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL3184220 0.73 NUDT1 (0.40) 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 disclosed
US-9261781-B2 Preparation of norbornane-based PAC ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2016-02-16 US disclosed
US-8530133-B2 Preparation of norbornane-based PAC ballasts PROMERUS, LLC (US) 2013-09-10 US disclosed
US-8530133-B2 Preparation of norbornane-based PAC ballasts PROMERUS, LLC (US) 2013-09-10 US disclosed
US-20120135352-A1 Preparation of Norbornane-based PAC Ballasts PROMERUS LLC (US) 2012-05-31 US 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 NPC1 4802/4885HPGD 2012/4885LMNA 3078/4885

“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.