SCHEMBL5952746

SCHEMBL5952746

CCCCC1Cc2cc(F)cc(Cl)c2C1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
DRD1 P21728 1/20 0.34
GRM2 Q14416 2/20 0.33
HTR2C P28335 3/20 0.33
HTR1A P08908 3/20 0.33
HTR2A P28223 3/20 0.33
HTR7 P34969 3/20 0.33
DRD4 P21917 2/20 0.33
SLC6A4 P31645 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC6A2 P23975 1/20 0.32
BACE1 P56817 1/20 0.32
HTR2B P41595 1/20 0.31
SIRT2 Q8IXJ6 4/20 0.31
ACHE P22303 1/20 0.30
AQP1 P29972 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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 0.87 METAP1 (0.37) DRD2DRD3GRM2HTR2CHTR1A
SCHEMBL5951471 0.78 GRM2 (0.40) DRD2DRD3GRM2HTR2CHTR1A
SCHEMBL5952451 0.77 ACHE (0.39) DRD2DRD3DRD1GRM2HTR2C
SCHEMBL11118779 0.73 GRM2 (0.47) GRM2ACHE
SCHEMBL27347569 0.71 ACHE (0.56) DRD2DRD3DRD1HTR2CHTR1A
SCHEMBL5952581 0.68 GRM2 (0.41) DRD3DRD1GRM2HTR2CHTR2A
SCHEMBL5344098 0.67 THRA (0.37) DRD2DRD3HTR2CHTR1AHTR2A
SCHEMBL27366970 0.67 CYP19A1 (0.36) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL2413944 0.67 ACHE (0.38) HTR2CACHETHRATHRB
SCHEMBL4945064 0.66 GRM2 (0.45) GRM2SIRT2ACHE

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 DRD2 1803/4885DRD3 1868/4885DRD1 1896/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DRD2 1860/4885DRD3 1784/4885DRD1 1566/4885

“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.