SCHEMBL5951471

SCHEMBL5951471

CCCC1Cc2cc(Cl)cc(Cl)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
METAP1 P53582 1/20 0.38
MAOB P27338 1/20 0.37
SIRT2 Q8IXJ6 4/20 0.36
SIGMAR1 Q99720 2/20 0.35
HSP90AB1 P08238 1/20 0.35
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
GPR17 Q13304 1/20 0.33
P2RX7 Q99572 1/20 0.32
EZH2 Q15910 1/20 0.32
FYN P06241 1/20 0.32
DRD4 P21917 1/20 0.31

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
SCHEMBL5952036 0.91 METAP1 (0.37) GRM2METAP1MAOBSIRT2SIGMAR1
SCHEMBL5952581 0.79 GRM2 (0.41) GRM2METAP1HSP90AB1HTR2AHTR2C
SCHEMBL5952746 0.78 DRD2 (0.34) GRM2SIRT2SIGMAR1HTR1AHTR2A
SCHEMBL4945064 0.77 GRM2 (0.45) GRM2METAP1SIRT2HSP90AB1FYN
SCHEMBL5951697 0.76 SIRT2 (0.41) GRM2METAP1MAOBSIRT2SIGMAR1
SCHEMBL9236408 0.76 METAP1 (0.65) METAP1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL10493480 0.75 GRM2 (0.53) GRM2
SCHEMBL5951677 0.74 ACHE (0.47) P2RX7
SCHEMBL15129381 0.74 AADAT (0.41) METAP1MAOBGPR17P2RX7
SCHEMBL4944969 0.72 FYN (0.44) GRM2HSP90AB1FYN

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 GRM2 3431/4885METAP1 4201/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 GRM2 3240/4885METAP1 4035/4885MAOB 403/4885

“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.