SCHEMBL2821950

SCHEMBL2821950

Cc1ccc(Cn2cc(CO)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KLKB1 P03952 5/20 0.42
▸ KDR P35968 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ TEK Q02763 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL15033959 0.84 KLKB1 (0.51) HSD17B10KLKB1LMNAMAPTKCNH2
SCHEMBL3103391 0.84 NOTUM (0.54) HSD17B10ALDH1A1LMNAPOLBMAPT
SCHEMBL3085851 0.83 LMNA (0.61) HSD17B10RAB9ANPC1ALDH1A1LMNA
SCHEMBL1244019 0.82 L3MBTL1 (0.61) HSD17B10POLBL3MBTL1
SCHEMBL2822506 0.82 HSD17B10 (0.40) HSD17B10RAB9ANPC1KLKB1ALDH1A1
SCHEMBL2052581 0.82 L3MBTL1 (0.52) RAB9ANPC1KLKB1ALDH1A1POLB
SCHEMBL15759268 0.82 KLKB1 (0.51) HSD17B10RAB9ANPC1KLKB1KDR
SCHEMBL13171691 0.80 KLKB1 (0.40) HSD17B10RAB9ANPC1KLKB1KDR
SCHEMBL2818945 0.80 L3MBTL1 (0.63) HSD17B10KLKB1KDREPHB4TEK
SCHEMBL3085028 0.79 GAA (0.55) HSD17B10RAB9ANPC1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — WO disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 — — EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 — — US disclosed
CN-1890241-A A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-01-03 — — CN disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 — — 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 (2 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 HSD17B10 1752/4885RAB9A 2087/4885NPC1 3709/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG HSD17B10 140/4885RAB9A 4142/4885NPC1 366/4885

“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.

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