SCHEMBL5953101

SCHEMBL5953101

CC1Cc2c(cccc2-c2ccco2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.57
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
BRD4 O60885 1/20 0.38
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
NCOA1 Q15788 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5953490 0.81 HTR1A (0.44) ACHEHTR1AHTR7BRD4PTPN7
SCHEMBL5951309 0.79 ACHE (0.50) ACHEHTR1AHTR7BRD4PTPN7
SCHEMBL5951913 0.77 ACHE (0.59) ACHEBRD4KDM4EALDH1A1MAPT
SCHEMBL5953220 0.75 ACHE (0.53) ACHEBRD4
SCHEMBL5951545 0.74 ACHE (0.65) ACHEALDH1A1MAPTKMT2A
SCHEMBL5951527 0.74 ACHE (0.55) ACHE
SCHEMBL3066323 0.73 ACHE (0.64) ACHEHTR1AHTR7BRD4
SCHEMBL5951456 0.73 ACHE (0.63) ACHEBRD4KDM4EALDH1A1MAPT
SCHEMBL6936179 0.73 ACHE (1.00) ACHEALDH1A1
SCHEMBL30666460 0.73 ACHE (1.00) ACHEALDH1A1

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.