SCHEMBL5953463

SCHEMBL5953463

CC(C)(C)C1=Cc2ccc(Cl)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
METAP1 P53582 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PTAFR P25105 1/20 0.32
PNMT P11086 1/20 0.31
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
SCHEMBL5954094 0.85 DRD2 (0.41) AHRDRD2DRD4METAP1HTR2A
SCHEMBL5953558 0.75 DRD2 (0.38) AHRDRD2DRD4METAP1HTR2A
Hydrochloric Acid SCHEMBL28666905 0.74 AHR (0.38) AHRDRD2DRD4METAP1HTR2A
SCHEMBL7637998 0.72 PTGS2 (0.41) DRD2DRD4HTR2AHTR2B
SCHEMBL4020099 0.71 AHR (0.36) AHRDRD2DRD4METAP1HTR2A
SCHEMBL5953678 0.70 MCHR1 (0.33) AHRDRD2DRD4METAP1HTR2A
SCHEMBL13051334 0.70 NOTUM (0.31) HTR2AHTR2CHTR2BPTAFR
SCHEMBL5953873 0.68 MCHR1 (0.32) AHRDRD2DRD4METAP1HTR2A
SCHEMBL5954140 0.66 MEN1 (0.37) AHRDRD2DRD4HTR2AHTR2B
SCHEMBL30715534 0.64 HTR2A (0.41) AHRMETAP1HTR2AHTR2CHTR2B

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 6 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
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
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 AHR 140/4885DRD2 3715/4885DRD4 2212/4885

“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.