SCHEMBL577454

SCHEMBL577454

CC(C)Oc1ccc2[c]nccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.36
MCL1 Q07820 2/20 0.35
CBFB Q13951 1/20 0.35
ABL1 P00519 1/20 0.35
PARP10 Q53GL7 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TLK2 Q86UE8 1/20 0.34
ALDH1A3 P47895 1/20 0.33
FGFR1 P11362 1/20 0.33
POLB P06746 1/20 0.33
ACACB O00763 1/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL577971 0.81 RAB9A (0.46) ALDH1A1KMT2ALMNAPOLBGLA
SCHEMBL22325682 0.73 ALDH1A1 (0.54) PDE3BPDE3AALDH1A1KMT2AMCL1
SCHEMBL29629324 0.73 ALDH1A1 (0.54) PDE3BPDE3AALDH1A1KMT2AMCL1
SCHEMBL18886865 0.71 BRD4 (0.39) PDE3BPDE3AALDH1A1KMT2AMCL1
SCHEMBL2356812 0.71 CYP1A2 (0.42) PDE3BPDE3AALDH1A1KMT2ALMNA
SCHEMBL31588898 0.70 CACNA2D1 (0.47) PDE3BPDE3AALDH1A1ABL1MAPK1
SCHEMBL15772872 0.69 ALDH1A1 (0.50) PDE3BPDE3AALDH1A1KMT2AMCL1
SCHEMBL30497290 0.69 IKBKB (0.48) PDE3BPDE3AALDH1A1ABL1MAPK1
SCHEMBL8571279 0.67 ALDH1A3 (0.39) PDE3BPDE3AALDH1A1KMT2APARP10
SCHEMBL206447 0.67 BACE1 (0.38) ALDH1A1KMT2AMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE3B 2574/4885PDE3A 2984/4885ALDH1A1 1913/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE3B 2574/4885PDE3A 2984/4885ALDH1A1 1913/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE3B 2574/4885PDE3A 2984/4885ALDH1A1 1913/4885

“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.