SCHEMBL5952947

SCHEMBL5952947

CCCCC1Cc2c(ccc(F)c2Cl)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.35
DRD3 P35462 7/20 0.34
DRD2 P14416 6/20 0.34
DRD1 P21728 1/20 0.34
HTR1A P08908 5/20 0.33
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
HTR7 P34969 5/20 0.33
DRD4 P21917 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
SLC6A4 P31645 3/20 0.33
P2RX7 Q99572 2/20 0.33
ACHE P22303 1/20 0.33
GRM2 Q14416 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SIRT2 Q8IXJ6 3/20 0.31
HRH1 P35367 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
SCHEMBL5952753 0.86 ACHE (0.34) METAP1DRD3DRD2HTR1AHTR2A
SCHEMBL2417918 0.81 ACHE (0.42) HTR2AHTR2CACHEHTR2B
SCHEMBL5336349 0.80
SCHEMBL2419510 0.78 MEN1 (0.31)
SCHEMBL5953103 0.77 ACHE (0.39) METAP1DRD3DRD2DRD1HTR1A
SCHEMBL5339600 0.72 ACHE (0.30) ACHETHRATHRB
SCHEMBL10342661 0.72 GRM2 (0.32) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL31046475 0.71 ACHE (0.39) METAP1ACHESIRT2
SCHEMBL5953234 0.71 ACHE (0.39) METAP1ACHESIRT2
SCHEMBL2416616 0.71 ACHE (0.43) HTR2CACHEHTT

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 METAP1 4201/4885DRD3 1868/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 METAP1 4035/4885DRD3 1784/4885DRD2 1860/4885

“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.