SCHEMBL339975

SCHEMBL339975

O=[C]CC1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 2/20 0.32
EPHX1 P07099 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL92838 0.77 MEN1 (0.36) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL24277964 0.77 MEN1 (0.36) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL226325 0.73
SCHEMBL1070337 0.72 MEN1 (0.37) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL25233759 0.72 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15373732 0.70 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL222555 0.70 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11253736 0.70 MEN1 (0.35) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL24521730 0.69
SCHEMBL21184090 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422791-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2014-12-17 EP claimed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US claimed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP claimed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US claimed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US claimed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US claimed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US claimed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP claimed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 WO claimed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
US-5721210-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS OR INTEGRIN RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-02-24 US claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
WO-1996040781-A1 CYCLIC PEPTIDE INHIBITORS OF β1 AND β2 INTEGRIN-MEDIATED ADHESION TANABE SEIYAKU CO., LTD. (JP) 1996-12-19 WO claimed
EP-0538399-A4 1994-05-04 EP claimed
EP-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 EP claimed
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 WO claimed
WO-1992000995-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO. LTD. (JP) 1992-01-23 WO claimed

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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA MEN1 1667/4885KMT2A 3035/4885NPC1 1297/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA MEN1 1667/4885KMT2A 3035/4885NPC1 1297/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA MEN1 1667/4885KMT2A 3035/4885NPC1 1297/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 MEN1 2662/4885KMT2A 3384/4885NPC1 350/4885

“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.