SCHEMBL5953678

SCHEMBL5953678

CCC1=Cc2ccc(Cl)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.33
AHR P35869 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
METAP1 P53582 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
ACHE P22303 1/20 0.31
PNMT P11086 1/20 0.31
MAP3K14 Q99558 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CMA1 P23946 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
SCHEMBL5953873 0.86 MCHR1 (0.32) MCHR1AHRDRD2DRD4METAP1
SCHEMBL5953680 0.85 DRD2 (0.41) AHRDRD2DRD4METAP1HTR2A
SCHEMBL5954140 0.83 MEN1 (0.37) MCHR1AHRDRD2DRD4HTR2A
SCHEMBL2972221 0.78 PNMT (0.37) AHRMETAP1HTR2AHTR2CACHE
SCHEMBL5953558 0.75 DRD2 (0.38) AHRDRD2DRD4METAP1HTR2A
Hydrochloric Acid SCHEMBL28666905 0.74 AHR (0.38) AHRDRD2DRD4METAP1HTR2A
SCHEMBL27620548 0.73 HTR2A (0.31) AHRDRD2DRD4HTR2AHTR2C
SCHEMBL1539683 0.72 ACHE (0.53) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL13080900 0.71 MAP3K14 (0.35) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL5953999 0.71 DRD2 (0.40) AHRDRD2DRD4METAP1HTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US claimed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN claimed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP claimed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO claimed
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO 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 (1 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-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 MCHR1 3787/4885AHR 140/4885DRD2 3715/4885

“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.