SCHEMBL7188136

SCHEMBL7188136

CC(C)(C)Oc1ccc(OC(C)(C)C)c(CCC(=O)c2cc(OC(C)(C)C)cc(OC(C)(C)C)c2OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ABL1 P00519 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS2 P35228 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
ADRA1A P35348 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL7187272 0.87 RAB9A (0.39) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7193913 0.85 NPC1 (0.42) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7193634 0.85 NFKB1 (0.35) NPC1PKMRAB9AMTNR1AMTNR1B
SCHEMBL7196309 0.82 NPC1 (0.46) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7194915 0.82 MTNR1A (0.37) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7193209 0.78 CTNNB1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2POLB
SCHEMBL7195697 0.77 NPC1 (0.44) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7188224 0.75 NPC1 (0.50) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7189344 0.74 HSD17B10 (0.39) NPC1PKMRAB9AMTNR1AMTNR1B
SCHEMBL7198485 0.73 CYP1A2 (0.39) NPC1PKMRAB9AHSD17B10LMNA

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 3105/4885PKM 749/4885RAB9A 3774/4885

“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.