SCHEMBL12445335

SCHEMBL12445335

COC(=O)C(C(C)C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CA14 Q9ULX7 5/20 0.41
CA12 O43570 3/20 0.41
ALDH1A1 P00352 3/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PIK3CD O00329 1/20 0.35
CA7 P43166 3/20 0.34
CA9 Q16790 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14355029 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL5511092 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL14752350 0.83 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL14668832 0.80 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL15034668 0.80 CA1 (0.42) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL15034670 0.80 CA1 (0.42) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL15034669 0.80 CA1 (0.42) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL22667816 0.78 SMN1; SMN2 (0.38) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL13575240 0.77 CA1 (0.38) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL28583609 0.77 CA1 (0.44) SMN1; SMN2CA14CA12CA1CA2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952360-A Quantum dot dispersion liquid, self-luminous photosensitive polymer combination, the colour filter and image display device manufactured using it 东友精细化工有限公司 2019-06-28 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US 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 (6 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 SMN1; SMN2 837/4885CA14 2616/4885CA12 2722/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 SMN1; SMN2 837/4885CA14 2616/4885CA12 2722/4885
US-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR SMN1; SMN2 4346/4885CA14 1816/4885CA12 1857/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR SMN1; SMN2 4346/4885CA14 1816/4885CA12 1857/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR SMN1; SMN2 4416/4885CA14 1516/4885CA12 1512/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB SMN1; SMN2 4517/4885CA14 260/4885CA12 590/4885

“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.