SCHEMBL577828

SCHEMBL577828

C=CCOc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
PTPRC P08575 1/20 0.41
FGFR1 P11362 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL15497039 0.79 MAPT (0.49) ADRA2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL31066797 0.79 MEN1 (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A
Fluorene SCHEMBL2550156 0.78 MAPT (0.48) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10658820 0.78 MEN1 (0.54) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL23501513 0.77 MAPT (0.41) ADRA2AADRA2BADRA2CMAPTLMNA
Acrylic Acid SCHEMBL31520577 0.76 MAPT (0.47) ADRA2AMAPTLMNASMN1; SMN2MEN1
SCHEMBL27974769 0.76 MAPT (0.39) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL28956939 0.76 PDK2 (0.52) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8000480 0.76 MAPT (0.56) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL6555931 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAPTLMNA

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 16 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-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 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
CN-101250091-B Synthesis of polysubstitution 2-fluorin allyl alcohol compounds UNIV ZHEJIANG 2011-04-20 CN 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
CN-101250091-A Synthesis of polysubstitution 2-fluorin allyl alcohol compounds UNIV ZHEJIANG (CN) 2008-08-27 CN 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 ADRA2A 4599/4885ADRA2B 4030/4885ADRA2C 4420/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADRA2A 4599/4885ADRA2B 4030/4885ADRA2C 4420/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADRA2A 4599/4885ADRA2B 4030/4885ADRA2C 4420/4885

“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.