SCHEMBL5951971

SCHEMBL5951971

CCC1(c2cccc3ccccc23)Cc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
NPSR1 Q6W5P4 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.38
PRNP P04156 2/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP2D6 P10635 1/20 0.37

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 0.85 ADRA1D (0.41) ADRA1DADRA1AADRA1BNPSR1MEN1
SCHEMBL5953333 0.75 NPSR1 (0.41) NPSR1KMT2AALDH1A1KDM4EGAA
SCHEMBL5951754 0.75 ADRA1D (0.41) ADRA1DADRA1AADRA1BNPSR1MEN1
SCHEMBL5952550 0.72 ADRA1D (0.41) ADRA1DADRA1AADRA1BNPSR1MEN1
SCHEMBL11528017 0.71 KDM4E (0.63) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7036107 0.70 SLC6A3 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL29448052 0.69 NPSR1 (0.64) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9172913 0.69 NPSR1 (0.64) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8610413 0.69 NPSR1 (0.43) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL9326720 0.68 NPSR1 (0.40) ADRA1DADRA1AADRA1BNPSR1MEN1

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.