SCHEMBL5951872

SCHEMBL5951872

CCCCc1cccc(-c2cccc3c2CC(C)C3=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HTR7 P34969 4/20 0.36
XIAP P98170 1/20 0.36
SLC5A1 P13866 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 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
SCHEMBL5952336 0.82 ACHE (0.42) ACHEHTR7XIAPSLC5A1NPC1
SCHEMBL5951515 0.78 ACHE (0.55) ACHE
SCHEMBL5952610 0.76 ACHE (0.61) ACHENPC1RAB9ABRD4CREBBP
SCHEMBL5952394 0.76 ACHE (0.57) ACHEHCRTR1HCRTR2NPC1HTT
SCHEMBL3066323 0.76 ACHE (0.64) ACHEHCRTR1HCRTR2HTR7BRD4
SCHEMBL28400225 0.75 HTR7 (0.53) HTR7
SCHEMBL5951555 0.75 ACHE (0.55) ACHE
SCHEMBL5952238 0.75 ACHE (0.55) ACHEBRD4CREBBP
SCHEMBL5952357 0.74 ACHE (0.57) ACHEHCRTR1HCRTR2HTR7BRD4
SCHEMBL5952058 0.73 ACHE (0.60) ACHEHCRTR1HCRTR2HTR7BRD4

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 839/4885HCRTR1 4871/4885HCRTR2 4784/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HCRTR1 4862/4885HCRTR2 4805/4885

“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.