SCHEMBL899009

SCHEMBL899009

Cc1cc(C(c2ccc(O)c(C)c2)C2CC3CC2C[C@@H]3c2ccccc2)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM1A O60341 8/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
HTR2C P28335 1/20 0.31
HSD17B2 P37059 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL899879 0.95 TRPA1 (0.39) ESR1ESR2SIRT1KDM1AMEN1
SCHEMBL903145 0.93 ESR1 (0.33) ESR1ESR2MEN1KMT2ATRPA1
SCHEMBL899819 0.90 ESR1 (0.33) ESR1ESR2KDM1AMEN1KMT2A
SCHEMBL9608263 0.90 MEN1 (0.38) ESR1ESR2MEN1KMT2AHTR2C
SCHEMBL902914 0.90 MEN1 (0.38) ESR1ESR2MEN1KMT2AHTR2C
SCHEMBL899831 0.90 MEN1 (0.38) ESR1ESR2MEN1KMT2AHTR2C
SCHEMBL9608267 0.89 PTGS1 (0.31) ESR1ESR2MEN1KMT2APTGS1
SCHEMBL9608268 0.86 MEN1 (0.39) ESR1ESR2MEN1KMT2AHTR2C
SCHEMBL8509094 0.81 MEN1 (0.44) ESR1ESR2SIRT1KDM1AMEN1
SCHEMBL899717 0.79 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 6 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-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 ESR1 2990/4885ESR2 4139/4885SIRT1 4176/4885

“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.