SCHEMBL5953689

SCHEMBL5953689

CCC1=Cc2c(cccc2Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
PNMT P11086 1/20 0.35
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD3 P35462 1/20 0.33
CALM1 P0DP23 1/20 0.33
TLR8 Q9NR97 1/20 0.33
HRH1 P35367 3/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL5953466 0.84 ADRA2A (0.36) HTR2ACYP2D6
SCHEMBL16393791 0.83 GABRA1 (0.39) HTR2APNMTDRD2DRD3DRD4
SCHEMBL5953538 0.82 HTR2A (0.42) HTR2ALOXL2PNMTDRD2DRD1
SCHEMBL5953499 0.76 CYP1A2 (0.30) PNMTCYP1A2
SCHEMBL1583270 0.74 DPP4 (0.39) PNMTDRD2
SCHEMBL5954159 0.74 ADRA2A (0.35) HTR2ACYP2D6
SCHEMBL5953900 0.71 ADRA2A (0.40) PNMTCYP2D6
SCHEMBL7056142 0.69 HTR2A (0.40) HTR2ADRD2DRD1DRD3DRD4
SCHEMBL7053653 0.69 GABRA1 (0.36) HPGDCYP1A2CYP3A4
SCHEMBL10599555 0.68 TP53 (0.50) HTR2ATP53DRD2DRD1BCL2

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 2 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
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN 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 3428/4885TP53 3139/4885LOXL2 2831/4885

“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.