SCHEMBL899951

SCHEMBL899951

Cc1cc(C2CC3CC2CC3CO)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 13/20 0.40
ESR2 Q92731 11/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 3/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2D6 P10635 1/20 0.31
KDM1A O60341 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
SCHEMBL8509481 0.87 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL9608276 0.87 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL902978 0.87 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL899818 0.85 MEN1 (0.38) MEN1POLBGAAKMT2AESR1
SCHEMBL899718 0.83 MEN1 (0.38) MEN1POLBGAAKMT2AESR1
SCHEMBL899783 0.82 MEN1 (0.37) MEN1POLBGAAKMT2AESR1
SCHEMBL899816 0.82 ESR2 (0.37) MEN1POLBGAAKMT2AESR1
SCHEMBL899790 0.82 ESR1 (0.35) MEN1POLBGAAKMT2AESR1
SCHEMBL899780 0.81 ESR1 (0.38) MEN1POLBGAAKMT2AESR1
SCHEMBL899684 0.81 ESR1 (0.38) MEN1POLBGAAKMT2AESR1

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 MEN1 2147/4885POLB 137/4885GAA 1663/4885

“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.