SCHEMBL2797606

SCHEMBL2797606

OCCCn1cnc2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.55
MAPT P10636 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NUDT1 P36639 1/20 0.54
BACE1 P56817 1/20 0.54
HDAC1 Q13547 1/20 0.53
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL9597222 0.90 KMT2A (0.51) PRPS1MAPTHSD17B10NUDT1BACE1
SCHEMBL9038637 0.87 MAPT (0.57) PRPS1MAPTHSD17B10HDAC1LMNA
SCHEMBL7877110 0.83 LMNA (0.55) PRPS1MAPTHSD17B10LMNANPC1
SCHEMBL8659266 0.83 MAPT (0.53) PRPS1MAPTHSD17B10LMNANPC1
SCHEMBL8088090 0.83 MAPT (0.56) PRPS1MAPTHSD17B10LMNANPC1
SCHEMBL13668156 0.81 PRPS1 (0.50) PRPS1MAPTHSD17B10HDAC1LMNA
SCHEMBL31441938 0.81 MAPT (0.54) PRPS1MAPTHSD17B10HDAC1LMNA
SCHEMBL14153974 0.81 MAPT (0.54) PRPS1MAPTHSD17B10HDAC1LMNA
SCHEMBL3303214 0.81 NPC1 (0.51) PRPS1MAPTHSD17B10HDAC1LMNA
SCHEMBL9570037 0.81 LMNA (0.51) PRPS1MAPTHSD17B10LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 PRPS1 4128/4885MAPT 4424/4885HSD17B10 3426/4885

“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.