SCHEMBL610795

SCHEMBL610795

O=C(O)Nc1ccc2c(c1)CCC2O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.53
GFRA3 O60609 1/20 0.45
RET P07949 1/20 0.45
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.41
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
QPCT Q16769 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL23035040 0.86 PYGL (0.52) PYGLGFRA3RETNPC1KDR
SCHEMBL7476527 0.86 PYGL (0.52) PYGLNPC1RAB9ACYP1A2CYP2C19
SCHEMBL25416093 0.82 PYGL (0.49) PYGLGFRA3RET
SCHEMBL12504996 0.79 ACHE (0.44) NPC1RAB9AKMT2APOLB
SCHEMBL20809519 0.79 PYGL (0.47) PYGLNPC1RAB9A
SCHEMBL15662346 0.78 QPCT (0.47) PYGLNPC1RAB9AKMT2AMEN1
SCHEMBL13382820 0.78 GFRA3 (0.45) PYGLGFRA3RETQPCT
SCHEMBL31752513 0.78 CA12 (0.59) RAB9AKMT2AMEN1CYP1A2CYP3A4
SCHEMBL20569459 0.77 KMT2A (0.44) PYGLNPC1RAB9AKMT2AMEN1
SCHEMBL7678241 0.77 ITGB3 (0.46) NPC1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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 (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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A PYGL 537/4885GFRA3 165/4885RET 1370/4885

“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.