SCHEMBL5951334

SCHEMBL5951334

CC1Cc2c(C=Cc3ccccc3)cccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.54
BRD4 O60885 5/20 0.46
CREBBP Q92793 5/20 0.46
TRPA1 O75762 2/20 0.41
NFE2L2 Q16236 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H3 Q13133 2/20 0.37
CYP27A1 Q02318 1/20 0.35
CYP24A1 Q07973 1/20 0.35
DPYD Q12882 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
SCHEMBL5952413 1.00 ACHE (0.54) ACHEBRD4CREBBPTRPA1NFE2L2
SCHEMBL5952824 0.79 ACHE (0.54) ACHE
SCHEMBL5952825 0.79 ACHE (0.54) ACHE
SCHEMBL5951929 0.78 ACHE (0.60) ACHE
SCHEMBL5953058 0.77 ACHE (0.46) ACHEBRD4CREBBPTRPA1NFE2L2
SCHEMBL5951674 0.77 ACHE (0.46) ACHEBRD4CREBBPTRPA1NFE2L2
SCHEMBL5951524 0.75 ACHE (0.49) ACHE
SCHEMBL5951520 0.75 ACHE (0.49) ACHE
SCHEMBL5952899 0.75 ACHE (0.55) ACHE
SCHEMBL3066323 0.74 ACHE (0.64) ACHEBRD4CREBBP

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 ACHE 839/4885BRD4 3097/4885CREBBP 2331/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885BRD4 3045/4885CREBBP 2466/4885

“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.