SCHEMBL8195578

SCHEMBL8195578

Cc1ccccc1C(=O)C(=O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ P2RX7 Q99572 2/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5729067 0.82 NPC1 (0.58) NPC1RAB9AP2RX7KMT2ATSHR
SCHEMBL23579159 0.80 NPC1 (0.56) NPC1RAB9AP2RX7KMT2ATSHR
SCHEMBL14566387 0.75 NPC1 (0.50) NPC1RAB9AP2RX7KMT2ATSHR
SCHEMBL166603 0.74 HPGD (0.54) TSHRALDH1A1HTTCES2CES1
SCHEMBL29425530 0.74 HPGD (0.54) TSHRALDH1A1HTTCES2CES1
O-Xylene SCHEMBL28135791 0.74 P2RX7 (0.54) NPC1RAB9AP2RX7KMT2ATSHR
SCHEMBL3623156 0.74 CES2 (0.50) NPC1RAB9AHTTCES2CES1
Biphenyl SCHEMBL1577458 0.74 NPC1 (0.57) NPC1RAB9AP2RX7KMT2AALDH1A1
SCHEMBL20677787 0.72 NPC1 (0.45) NPC1RAB9AP2RX7KMT2ATSHR
SCHEMBL20677788 0.72 NPC1 (0.45) NPC1RAB9AP2RX7KMT2ATSHR

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
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

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 NPC1 216/4885RAB9A 2664/4885P2RX7 2450/4885

“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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