SCHEMBL5953916

SCHEMBL5953916

CC1=Cc2cccc(CC3CCCCC3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
CEL P19835 1/20 0.34
PPM1D O15297 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 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
SCHEMBL5953866 0.82 ACHE (0.37) HTR2CHTR2AHTR2BCELPPM1D
SCHEMBL5953581 0.80 BCHE (0.36) HTR2CHTR2AHTR2BCELPPM1D
SCHEMBL5954073 0.77 BCHE (0.36) CELPPM1DBCHEACHEALDH1A1
SCHEMBL5953568 0.75 GABRA1 (0.39) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL17748782 0.75 CEL (0.42) CELPPM1DBCHEALDH1A1RAB9A
SCHEMBL3683410 0.74 HTR2A (0.35) HTR2AALDH1A1
SCHEMBL5953865 0.73 HTR1A (0.40) HTR2CHTR2BCEL
SCHEMBL3677282 0.72
SCHEMBL12319663 0.72 TAAR1 (0.46) HTR2A
SCHEMBL5954199 0.72 HTR2A (0.36) HTR2CHTR2AHTR2BALDH1A1

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

“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.