SCHEMBL5953568

SCHEMBL5953568

CCc1cccc2c1CC(C)=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
TSHR P16473 1/20 0.33
DRD2 P14416 3/20 0.32
LMNA P02545 3/20 0.32
HTR2A P28223 3/20 0.32
HTR1A P08908 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2B P41595 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5954199 0.85 HTR2A (0.36) DRD2LMNAHTR2AHTR1ADRD4
SCHEMBL1321321 0.83
SCHEMBL12319663 0.81 TAAR1 (0.46) DRD2HTR2ADRD4DRD3DRD1
SCHEMBL5954156 0.81 GABRA1 (0.39) GABRA1GABRB2TSHRDRD2LMNA
SCHEMBL1319401 0.80 KDM4E (0.33) DRD2LMNAHTR2AHTR1ADRD4
SCHEMBL13905661 0.80 KDM4E (0.33) DRD2LMNAHTR2AHTR1ADRD4
SCHEMBL5954058 0.79 HTR2A (0.41) TSHRDRD2HTR2ADRD4HTR2B
SCHEMBL1320258 0.78 TAAR1 (0.42) DRD2LMNAHTR2AHTR1AKDM4E
SCHEMBL5953655 0.77 GABRA1 (0.35) GABRA1GABRB2DRD2LMNAHTR2A
SCHEMBL30667121 0.75 CYP2A6 (0.35) TSHRALDH1A1

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 3 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 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 GABRA1 4362/4885GABRB2 4463/4885TSHR 4610/4885

“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.