SCHEMBL5952336

SCHEMBL5952336

CCCCc1cccc(-c2cccc3c2C(=O)C(C)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.42
SLC5A1 P13866 2/20 0.35
HTR7 P34969 2/20 0.35
XIAP P98170 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL5951872 0.82 ACHE (0.48) ACHESLC5A1HTR7XIAPBRD4
SCHEMBL5952266 0.78 ACHE (0.50) ACHENPC1RAB9A
SCHEMBL5951968 0.78 ACHE (0.54) ACHEHTR7BRD4CREBBPDRD2
SCHEMBL5509273 0.77 ACHE (0.61) ACHEHTR7BRD4CREBBPDRD2
SCHEMBL5952829 0.77 ACHE (0.49) ACHEHTR7BRD4DRD2HTR2A
SCHEMBL5951226 0.77 TDP2 (0.52) ACHEABCB1
SCHEMBL5952306 0.77 ACHE (0.49) ACHEHTR7BRD4CREBBPNPC1
SCHEMBL5952113 0.76 ACHE (0.44) ACHEDRD2HTR2AHTR2CABCB1
SCHEMBL5951620 0.75 ACHE (0.54) ACHEHTR7BRD4CREBBPDRD2
SCHEMBL5952527 0.74 ACHE (0.57) ACHEHTR7BRD4CREBBPDRD2

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 839/4885SLC5A1 4228/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885SLC5A1 3811/4885HTR7 2049/4885

“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.