SCHEMBL5952665

SCHEMBL5952665

COc1cccc(-c2cccc3c2C(=O)C(C)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.54
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
DRD1 P21728 1/20 0.45
LMNA P02545 2/20 0.45
BRD4 O60885 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5951435 0.90 ACHE (0.54) ACHEHTR1AHTR7DRD1LMNA
SCHEMBL5952167 0.88 ACHE (0.53) ACHELMNAALDH1A1
SCHEMBL5951460 0.86 ACHE (0.52) ACHEHDAC4HDAC8EDNRBEDNRA
SCHEMBL5952266 0.82 ACHE (0.50) ACHEALDH1A1
SCHEMBL5951968 0.82 ACHE (0.54) ACHEHTR1AHTR7BRD4HDAC4
SCHEMBL5952595 0.82 ACHE (0.57) ACHELMNAALDH1A1
SCHEMBL5509273 0.81 ACHE (0.61) ACHEHTR1AHTR7BRD4
SCHEMBL5951226 0.81 TDP2 (0.52) ACHE
SCHEMBL5952829 0.81 ACHE (0.49) ACHEHTR1AHTR7BRD4
SCHEMBL5951284 0.81 ACHE (0.61) ACHEHTR1AHTR7LMNABRD4

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 839/4885HTR1A 2570/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR1A 2132/4885HTR7 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.