SCHEMBL5951700

SCHEMBL5951700

CC(C)CC1(c2ccc3ccccc3c2)Cc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.37
SLC6A3 Q01959 12/20 0.37
SLC6A2 P23975 6/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL5953333 0.85 NPSR1 (0.41) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL5951516 0.81 ALOX12 (0.40) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL5952208 0.77 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL5951607 0.77 ADRA1D (0.41) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL12086636 0.70 NPSR1 (0.45) LMNAL3MBTL1NPSR1HTT
SCHEMBL5952038 0.69 LMNA (0.36) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL12269439 0.69 NPSR1 (0.44) LMNAL3MBTL1NPSR1HTTUTS2R
SCHEMBL5951971 0.64 ADRA1D (0.44) SLC6A4SLC6A3SLC6A2LMNAL3MBTL1
SCHEMBL29448052 0.63 NPSR1 (0.64) LMNAL3MBTL1NPSR1HTT
SCHEMBL9172913 0.63 NPSR1 (0.64) LMNAL3MBTL1NPSR1HTT

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 SLC6A4 4673/4885SLC6A3 4099/4885SLC6A2 4252/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 SLC6A4 4703/4885SLC6A3 4193/4885SLC6A2 4372/4885

“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.