SCHEMBL5953333

SCHEMBL5953333

CCC1(c2ccc3ccccc3c2)Cc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
SLC6A2 P23975 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL5951516 0.87 ALOX12 (0.40) NPSR1LMNAL3MBTL1HTTUTS2R
SCHEMBL5951700 0.85 SLC6A4 (0.37) NPSR1LMNAL3MBTL1HTTUTS2R
SCHEMBL5952208 0.75 SLC6A4 (0.40) NPSR1LMNAL3MBTL1HTTUTS2R
SCHEMBL5951971 0.75 ADRA1D (0.44) NPSR1LMNAL3MBTL1HTTKDM4E
SCHEMBL5952038 0.72 LMNA (0.36) NPSR1LMNAL3MBTL1HTTUTS2R
SCHEMBL9172913 0.72 NPSR1 (0.64) NPSR1LMNAL3MBTL1HTTKDM4E
SCHEMBL29448052 0.72 NPSR1 (0.64) NPSR1LMNAL3MBTL1HTTKDM4E
SCHEMBL24309149 0.69 OPRM1 (0.42) OPRM1SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL8610413 0.69 NPSR1 (0.43) NPSR1LMNAL3MBTL1HTTKDM4E
SCHEMBL9324661 0.68 NPSR1 (0.40) NPSR1LMNAL3MBTL1HTTKDM4E

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 NPSR1 2891/4885LMNA 1082/4885L3MBTL1 4883/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 NPSR1 2946/4885LMNA 1251/4885L3MBTL1 4881/4885

“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.