SCHEMBL8391002

SCHEMBL8391002

COCC(=O)N(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PDK2 Q15119 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 1/20 0.31
HPGD P15428 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
SCHEMBL18412641 0.92 HPGD (0.42) POLBPDK2TRPM8CA12CA1
SCHEMBL13744444 0.81 TRPM8 (0.38) POLBTRPM8ALDH1A1HPGD
SCHEMBL14759143 0.81 HPGD (0.48) POLBTRPM8CA12CA1CA2
SCHEMBL6097999 0.79 PDK2 (0.38) POLBPDK2MAPTHPGD
SCHEMBL27968640 0.77 CA12 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL23502942 0.77 POLB (0.39) POLBTRPM8ALDH1A1HPGD
SCHEMBL3628031 0.77 POLB (0.41) POLBCA12CA1CA2CA9
SCHEMBL8014545 0.76 POLB (0.42) POLBPDK2TRPM8
SCHEMBL1716108 0.75 LMNA (0.50) TRPM8ALDH1A1HPGD
SCHEMBL11838505 0.74 POLB (0.44) POLBPDK2TRPM8CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092915-A1 SODIUM CHANNEL BLOCKERS FOR SKIN DISORDERS PARION SCIENCES, INC. (US) 2018-04-05 US disclosed
US-9849129-B2 Sodium channel blockers for skin disorders PARION SCIENCES, INC. (US) 2017-12-26 US disclosed
WO-2016133967-A2 SODIUM CHANNEL BLOCKERS FOR SKIN DISORDERS PARION SCIENCES, INC. (US) 2016-08-25 WO disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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 (2 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-20180092915-A1 SODIUM CHANNEL BLOCKERS FOR SKIN DISORDERS SCNN1B, SCNN1A, SCNN1G POLB 2454/4885PDK2 4784/4885TRPM8 98/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 POLB 2710/4885PDK2 1532/4885TRPM8 1546/4885

“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.