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SCHEMBL12416119

SCHEMBL12416119

CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ ENPP2 Q13822 8/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RBP4 P02753 3/20 0.37
▸ PGR P06401 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL6418154 0.83 KDM4E (0.42) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL12416120 0.80 CHRM2 (0.41) RBP4
SCHEMBL12416099 0.80 HRH3 (0.37) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL10025291 0.79 MEN1 (0.40) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL13969530 0.77 MEN1 (0.41) ALDH1A1HSD17B10KDM4EENPP2MEN1
SCHEMBL8279087 0.76 MEN1 (0.42) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL12416150 0.76 POLB (0.45) ALDH1A1RAB9AL3MBTL1POLB
SCHEMBL8262085 0.74 UCHL1 (0.44) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL28501814 0.74 UCHL1 (0.44) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL10304669 0.73 UCHL1 (0.41) ALDH1A1HSD17B10KDM4EHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 — — US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 — — US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — 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 (4 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 ALDH1A1 1984/4885HSD17B10 1171/4885KDM4E 3852/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 ALDH1A1 1984/4885HSD17B10 1171/4885KDM4E 3852/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 ALDH1A1 1984/4885HSD17B10 1171/4885KDM4E 3852/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 ALDH1A1 2154/4885HSD17B10 1198/4885KDM4E 3531/4885

“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.