SCHEMBL3178586

SCHEMBL3178586

CC(C)c1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GRM5 P41594 5/20 0.40
LMNA P02545 1/20 0.39
KLK7 P49862 1/20 0.38
CTRC Q99895 1/20 0.38
HPGD P15428 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 2/20 0.37
SLC6A4 P31645 2/20 0.37
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL25607314 0.90 KLK7 (0.42) MAOBMAOAPTGS1PTGS2LMNA
SCHEMBL22967194 0.87 MAOB (0.58) MAOBMAOAPTGS1PTGS2GRM5
SCHEMBL1761237 0.83 PTGS1 (0.64) MAOBMAOAPTGS1PTGS2GRM5
SCHEMBL68886 0.77 RAB9A (0.51) MAOBMAOAGRM5HPGDHSD17B10
SCHEMBL13392164 0.76 FABP6 (0.61) PTGS1PTGS2LMNAKLK7CTRC
SCHEMBL801234 0.75 HDAC3 (0.55) PTGS1PTGS2HDAC3HDAC4HDAC1
SCHEMBL9380831 0.75 HPGD (0.43) LMNAKLK7HPGDGFERHSD17B10
SCHEMBL2981516 0.74 MAOB (0.74) MAOBMAOAGRM5HPGDSMN1; SMN2
SCHEMBL16789730 0.74 MAOB (0.50) MAOBMAOAGRM5HPGDHTR1A
SCHEMBL69670 0.74 MAOB (0.50) MAOBMAOAGRM5NPSR1MAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
EP-0843666-B1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-05-16 EP disclosed
US-5780465-A 4-substituted 5-polycyclylpyrimidine herbicides DOW AGROSCIENCES LLC (US) 1998-07-14 US disclosed
EP-0843666-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1998-05-27 EP disclosed
WO-1997037978-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1997-10-16 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 (9 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOB 802/4885MAOA 1118/4885PTGS1 1455/4885
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP MAOB 399/4885MAOA 247/4885PTGS1 2315/4885
US-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A MAOB 2242/4885MAOA 2664/4885PTGS1 2618/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MAOB 1947/4885MAOA 2386/4885PTGS1 1725/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOB 802/4885MAOA 1118/4885PTGS1 1455/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAOB 802/4885MAOA 1118/4885PTGS1 1455/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MAOB 407/4885MAOA 223/4885PTGS1 2366/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 MAOB 1516/4885MAOA 2100/4885PTGS1 3947/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MAOB 1947/4885MAOA 2386/4885PTGS1 1725/4885

“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.