SCHEMBL5953490

SCHEMBL5953490

CCC1Cc2c(cccc2-c2ccco2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
METAP1 P53582 1/20 0.39
BRD4 O60885 1/20 0.38
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
PTPN7 P35236 1/20 0.34
DUSP3 P51452 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
SCHEMBL5953101 0.81 ACHE (0.57) HTR1AHTR7BRD4ALDH1A1MAPT
SCHEMBL5951505 0.81 HTR1A (0.42) HTR1AHTR7METAP1BRD4ALDH1A1
SCHEMBL5952971 0.77 ALDH1A1 (0.33) BRD4ALDH1A1MEN1LMNAPOLB
SCHEMBL5952468 0.77 ACHE (0.41) METAP1CYP19A1ALDH1A1MEN1MAPT
SCHEMBL1583277 0.76 METAP1 (0.42) HTR1AHTR7METAP1CYP19A1ACHE
SCHEMBL7627859 0.75 ACHE (0.62) METAP1CYP19A1ACHE
SCHEMBL1582991 0.74 METAP1 (0.43) METAP1CYP19A1ACHE
SCHEMBL5952774 0.74 METAP1 (0.43) HTR1AHTR7METAP1CYP19A1MAPT
SCHEMBL9317264 0.74 METAP1 (0.46) HTR1AHTR7METAP1CYP19A1ACHE
SCHEMBL5951960 0.72 HTR7 (0.44) HTR1AHTR7METAP1BRD4CYP19A1

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 HTR1A 2570/4885HTR7 1861/4885METAP1 4201/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885METAP1 4035/4885

“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.