SCHEMBL5953765

SCHEMBL5953765

CCCC1=Cc2cccc(CCC)c2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
HTR2C P28335 2/20 0.33
DRD2 P14416 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL5953655 0.91 GABRA1 (0.35) HTR2AHTR2BDRD2KDM4ELMNA
SCHEMBL5953670 0.91 HTR2A (0.33) HTR2AHTR2BHTR2CDRD2KDM4E
SCHEMBL5954199 0.82 HTR2A (0.36) HTR2AHTR2BHTR2CDRD2KDM4E
SCHEMBL5953694 0.82 MEN1 (0.31) ALDH1A1
SCHEMBL5953581 0.81 BCHE (0.36) HTR2AHTR2BHTR2C
SCHEMBL2967415 0.81 TRPA1 (0.36) ALDH1A1
SCHEMBL21377188 0.81 DRD2 (0.33) DRD2DRD3
SCHEMBL5953544 0.81 ADRA2A (0.32) DRD2ADRA2ACYP2D6ADRA2BADRA1A
SCHEMBL5954156 0.78 GABRA1 (0.39) HTR2AHTR2BHTR2CDRD2LMNA
SCHEMBL6230549 0.77 HTR1A (0.37) HTR1A

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 HTR2A 3428/4885HTR2B 2637/4885HTR2C 3399/4885

“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.