SCHEMBL3749019

SCHEMBL3749019

O=C(Cl)CC12CC3CC(CC(Cl)(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 2/20 0.46
TSHR P16473 1/20 0.41

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
SCHEMBL3789988 0.93 POLB (0.58) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL11577622 0.88 GAA (0.60) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL3760612 0.87 POLB (0.64) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL10532442 0.79 GAA (0.51) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL25909650 0.79 ALDH1A1 (0.57) ALDH1A1KMT2ATSHR
SCHEMBL1074062 0.79 ALDH1A1 (0.57) ALDH1A1KMT2ATSHR
SCHEMBL15536893 0.78 ALDH1A1 (0.45) GAAPOLBALDH1A1THRB
SCHEMBL25245007 0.77
SCHEMBL21376621 0.74 ALDH1A1 (0.66) GAAALDH1A1KMT2ATHRBTSHR
SCHEMBL7571363 0.74 GRIN2D (0.56) GAAPOLBMEN1KMT2ATHRB

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 GAA 2874/4885POLB 4177/4885ALDH1A1 1031/4885

“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.