SCHEMBL7196642

SCHEMBL7196642

CCOc1cc(CCC(=O)c2cccc(OCC)c2OCC)c(OCC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL7194929 0.92 NPC1 (0.51) NPC1RAB9APKMMAPTHPGD
SCHEMBL7194077 0.88 NPC1 (0.43) NPC1RAB9APKMMAPTKDM4E
SCHEMBL7191795 0.87 NPC1 (0.43) NPC1RAB9APKMMAPTLMNA
SCHEMBL7196658 0.86 THRA (0.46) NPC1RAB9APKMMAPTHPGD
SCHEMBL7198353 0.85 THRA (0.47) NPC1RAB9APKMMAPTLMNA
SCHEMBL7193803 0.85 MTNR1A (0.46) NPC1RAB9APKMMAPTHPGD
SCHEMBL7194122 0.84 THRA (0.49) NPC1RAB9APKMMAPTLMNA
SCHEMBL7190618 0.84 MTNR1A (0.42) NPC1RAB9APKMMAPTKDM4E
SCHEMBL7201608 0.84 NPC1 (0.42) NPC1RAB9APKM
SCHEMBL7194030 0.83 CTNNB1 (0.45) NPC1RAB9AMAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 NPC1 3105/4885RAB9A 3774/4885PKM 749/4885

“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.