SCHEMBL5951754

SCHEMBL5951754

CC(C)C1(c2cccc3ccccc23)Cc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
CDYL Q9Y232 1/20 0.36
MAPK1 P28482 3/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5951607 0.77 ADRA1D (0.41) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
SCHEMBL5952208 0.75 SLC6A4 (0.40) SLC6A4SLC6A3NPSR1SLC6A2L3MBTL1
SCHEMBL5951971 0.75 ADRA1D (0.44) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
SCHEMBL5952550 0.72 ADRA1D (0.41) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
SCHEMBL12013907 0.69 NPSR1 (0.46) NPSR1MAPTKMT2AL3MBTL1HTT
SCHEMBL6240561 0.67 ALDH1A1 (0.47) ADRA1DADRA1AADRA1BNPSR1MAPT
SCHEMBL14939561 0.64 CYP2D6 (0.54) SLC6A4SLC6A3NPSR1MAPTMEN1
SCHEMBL8752992 0.63 MEN1 (0.45) NPSR1MAPTMEN1KMT2AL3MBTL1
SCHEMBL29661169 0.63 NPSR1 (0.50) NPSR1MAPTKMT2AL3MBTL1HTT
SCHEMBL1745254 0.63 NPSR1 (0.50) NPSR1MAPTKMT2AL3MBTL1HTT

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 ADRA1D 1387/4885ADRA1A 1011/4885ADRA1B 867/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ADRA1D 1089/4885ADRA1A 831/4885ADRA1B 752/4885

“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.