SCHEMBL851619

SCHEMBL851619

CCOC(=O)c1cc(OCc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
SMPD1 P17405 1/20 0.48
MAOB P27338 7/20 0.47
TDP1 Q9NUW8 2/20 0.46
PTGER4 P35408 1/20 0.46
MAPT P10636 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
TSHR P16473 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL851554 0.90 FFAR1 (0.53) RAB9ASMPD1MAOBFFAR1SPHK2
SCHEMBL851271 0.90 PARP15 (0.53) RAB9ATDP1MAPTPARP15PARP10
SCHEMBL852068 0.87 ST14 (0.49) RAB9ATDP1MAPTTSHRPARP15
SCHEMBL851236 0.87 HDAC1 (0.47) RAB9ASMPD1MAOBTDP1PTGER4
SCHEMBL851237 0.86 RAB9A (0.44) RAB9ASMPD1MAOBTDP1PTGER4
SCHEMBL851821 0.85 GAA (0.52) RAB9AMAPTTSHR
SCHEMBL851126 0.85 CA12 (0.56) RAB9ATDP1MAPTPARP15PARP10
SCHEMBL851518 0.84 MAOB (0.56) RAB9AMAOBMAPTFFAR1
SCHEMBL851678 0.84 MEN1 (0.60) RAB9ASMPD1MAOBPTGER4RXRA
SCHEMBL851273 0.83 PPARG (0.49) MAOBTDP1MAPTFFAR1

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 RAB9A 1915/4885SMPD1 189/4885MAOB 187/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 RAB9A 1915/4885SMPD1 189/4885MAOB 187/4885

“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.