SCHEMBL7196309

SCHEMBL7196309

CC(C)(C)Oc1ccc(OC(C)(C)C)c(CCC(=O)c2ccccc2OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 7/20 0.38
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC1 Q13547 1/20 0.35

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 0.89 RAB9A (0.39) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7188136 0.82 NPC1 (0.39) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7188224 0.82 NPC1 (0.50) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7193209 0.82 CTNNB1 (0.43) NPC1RAB9AKMT2AABCB1CTNNB1
SCHEMBL7194915 0.80 MTNR1A (0.37) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7193634 0.80 NFKB1 (0.35) NPC1PKMRAB9AELANE
SCHEMBL7188085 0.79 PKM (0.64) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7196731 0.75 IDO1 (0.49) NPC1PKMRAB9AABCB1ALDH1A1
SCHEMBL7198396 0.75 MAPT (0.50) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7195697 0.74 NPC1 (0.44) NPC1PKMRAB9AMEN1KMT2A

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.