SCHEMBL903019

SCHEMBL903019

Cc1cc([C@@H]2CC3CCC2C3)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
POLB P06746 1/20 0.76
GAA P10253 1/20 0.76
KMT2A Q03164 1/20 0.76
SLC6A3 Q01959 8/20 0.43
SLC6A4 P31645 6/20 0.43
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL9608274 1.00 MEN1 (0.76) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL899857 1.00 MEN1 (0.76) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL902978 0.82 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL9608276 0.82 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL8509481 0.82 MEN1 (0.50) MEN1POLBGAAKMT2AESR1
SCHEMBL11589127 0.82 MEN1 (0.73) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL13086071 0.82 GAA (0.73) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL900068 0.81 MEN1 (0.68) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL24221595 0.81 MEN1 (0.58) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL29294171 0.80 MEN1 (0.57) MEN1POLBGAAKMT2ASLC6A3

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 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.