SCHEMBL3623156

SCHEMBL3623156

O=C(C(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.50
▸ CES1 P23141 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMO O15229 1/20 0.47
▸ KCNK3 O14649 1/20 0.46
▸ KCNK9 Q9NPC2 1/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ EPHX2 P34913 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
SCHEMBL11037581 0.98 CES2 (0.52) CES2CES1POLBELANEHPGD
SCHEMBL14614307 0.90 CES2 (0.56) CES2CES1POLBELANERAB9A
SCHEMBL17779987 0.85 KMO (0.50) HPGDKMOKCNK3KCNK9
SCHEMBL16109370 0.81 KMT2A (0.54) CES2CES1POLBRAB9AGAA
SCHEMBL27566019 0.81 POLB (0.47) CES2CES1POLBELANEHPGD
Benzoic Acid SCHEMBL31356467 0.80 SRD5A2 (0.58) CES2CES1POLBELANEHPGD
Benzoic Acid SCHEMBL5788950 0.80 SRD5A2 (0.58) CES2CES1POLBELANEHPGD
SCHEMBL1427963 0.79 SRD5A2 (0.67) POLBELANEHPGDKCNK3KCNK9
SCHEMBL15155929 0.79 SRD5A2 (0.67) POLBELANEHPGDKCNK3KCNK9
SCHEMBL33443 0.79 SRD5A2 (0.67) POLBELANEHPGDKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 — — US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 — — US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 — — US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 — — US disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 — — WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 — — US disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 — — US disclosed
US-3968121-A 1,2-Diphenyl-4,5,6,7-tetrahydroindoles STERLING DRUG INC. (US) 1976-07-06 — — 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP CES2 1190/4885CES1 729/4885POLB 2544/4885

“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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