SCHEMBL5953866

SCHEMBL5953866

CCC1=Cc2cccc(CC3CCCCC3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
BCHE P06276 2/20 0.33
KMT2A Q03164 1/20 0.33
CEL P19835 1/20 0.33
PPM1D O15297 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 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
SCHEMBL5953581 0.89 BCHE (0.36) ACHEHTR2CHTR2AHTR2BBCHE
SCHEMBL5953916 0.82 HTR2C (0.34) ACHEHTR2CHTR2AHTR2BBCHE
SCHEMBL5954156 0.80 GABRA1 (0.39) HTR2CHTR2AHTR2BKMT2A
SCHEMBL5953662 0.77 HTR1A (0.38) ACHECEL
SCHEMBL5953670 0.75 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL3071175 0.71 ACHE (0.40) ACHEKMT2AALDH1A1RAB9A
SCHEMBL16191244 0.71 KMT2A (0.47) BCHEKMT2ACELPPM1DALDH1A1
SCHEMBL17748782 0.69 CEL (0.42) BCHECELPPM1DALDH1A1RAB9A
SCHEMBL5954155 0.68 ADRA2A (0.33) ACHEBCHE
SCHEMBL2385859 0.68 ACHE (0.37) ACHEKMT2AALDH1A1

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 ACHE 906/4885HTR2C 3399/4885HTR2A 3428/4885

“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.