SCHEMBL5953476

SCHEMBL5953476

CCCCc1cc(Br)c2c(c1)CC(C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 8/20 0.38
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FUT7 Q11130 1/20 0.32
SIRT2 Q8IXJ6 3/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL5951373 0.83 NPC1 (0.39) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL23397540 0.74 ACHE (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5952853 0.73 ACHE (0.45) HPGDACHESIRT2
SCHEMBL4197678 0.73 ACHE (0.46) ACHEMAOA
SCHEMBL5952207 0.72 ACHE (0.47) ACHE
SCHEMBL29980125 0.71 ACHE (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL19553645 0.71 ACHE (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL1453416 0.70 ACHE (0.42) ACHE
SCHEMBL5952336 0.69 ACHE (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5951249 0.68 ACHE (0.44) ACHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A NPC1 2099/4885HPGD 132/4885MAPK1 904/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 NPC1 1941/4885HPGD 159/4885MAPK1 617/4885

“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.