SCHEMBL3387880

SCHEMBL3387880

CCC[C](CC)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL926657 0.86 CA1 (0.43) CA1TSHR
SCHEMBL6626453 0.85 LMNA (0.35) CA1
SCHEMBL5673800 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8579213 0.81 CA1 (0.40) CA1ALDH1A1
SCHEMBL1678094 0.80
SCHEMBL22401687 0.76 CA1 (0.50) CA1ALDH1A1TSHR
SCHEMBL29065774 0.75 CES1 (0.35) CA1ALDH1A1
SCHEMBL16594597 0.74 CA1 (0.39) CA1ALDH1A1
SCHEMBL497824 0.73
SCHEMBL402298 0.72

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2010-06-24 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 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 (3 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 CA1 4615/4885ALDH1A1 2719/4885TSHR 427/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X CA1 1373/4885ALDH1A1 2444/4885TSHR 1753/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 CA1 4615/4885ALDH1A1 2719/4885TSHR 427/4885

“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.