SCHEMBL899879

SCHEMBL899879

Cc1cc(C(c2ccc(C)c(O)c2)C2CC3CC2CC3c2ccccc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
SIRT1 Q96EB6 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 5/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL899009 0.95 ESR1 (0.33) TRPA1PTGS1CACNA1CSIRT1ESR1
SCHEMBL903145 0.89 ESR1 (0.33) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL899819 0.85 ESR1 (0.33) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL902914 0.85 MEN1 (0.38) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL9608263 0.85 MEN1 (0.38) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL899831 0.85 MEN1 (0.38) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL9608268 0.84 MEN1 (0.39) TRPA1PTGS1CACNA1CESR1ESR2
SCHEMBL9608267 0.84 PTGS1 (0.31) PTGS1ESR1ESR2MEN1KMT2A
SCHEMBL8509094 0.77 MEN1 (0.44) SIRT1ESR1ESR2LMNASMN1; SMN2
SCHEMBL899717 0.76 NUDT1 (0.34) 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 11 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-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
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
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 TRPA1 1407/4885PTGS1 924/4885CACNA1C 2611/4885

“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.