SCHEMBL4115115

SCHEMBL4115115

CCOC(=O)/C(Cl)=C/C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
HCAR2 Q8TDS4 1/20 0.43
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2C9 P11712 2/20 0.35
MAPT P10636 4/20 0.34

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
SCHEMBL27385701 1.00 NPSR1 (0.47) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL4115120 1.00 NPSR1 (0.47) NPSR1HCAR2GLO1ALDH1A1CYP2D6
Potassium Ion SCHEMBL29000372 0.83 NPSR1 (0.44) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL4109419 0.83 NPSR1 (0.63) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL4247912 0.83 NPSR1 (0.63) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL4109423 0.83 NPSR1 (0.63) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL7895381 0.80 HCAR2 (0.50) NPSR1HCAR2ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL265673 0.79
SCHEMBL8382034 0.79
SCHEMBL11149236 0.79 NPSR1 (0.48) NPSR1HCAR2GLO1ALDH1A1CYP2D6

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
CN-100516061-C Pyridine derivatives as NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2009-07-22 CN disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007022015-A1 METHODS TO EVALUATE AMYLOID BETA-LOWERING AGENTS USING WILD-TYPE MICE GEORGETOWN UNIVERSITY (US) 2007-02-22 WO disclosed
CN-1585762-A Pyridine derivatives as NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2005-02-23 CN disclosed
US-5416214-A Use in fluorescent assay SYNTEX (U.S.A.) INC. (US) 1995-05-16 US disclosed
US-5329019-A Squaraine dye compounds SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5310922-A Squaraine dyes SYNTEX (U.S.A.) INC. (US) 1994-05-10 US disclosed
US-5039818-A Squaraine dye SYNTEX (U.S.A.) INC. (US) 1991-08-13 US disclosed
US-4830786-A CONDENSATION PRODUCT OF SQUARIC ACID WITH COMPOUNDS SUCH AS ANILINE SYNTEX (U.S.A.) INC. (US) 1989-05-16 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 (1 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR NPSR1 972/4885HCAR2 225/4885GLO1 595/4885

“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.