SCHEMBL4170773

SCHEMBL4170773

CCCCCCCCCCCC(=O)NCO.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.69
HSP90AA1 P07900 1/20 0.59
NAAA Q02083 1/20 0.57
DNM1 Q05193 2/20 0.56
CNR1 P21554 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TRPV1 Q8NER1 1/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CASP2 P42575 1/20 0.55
MAPK1 P28482 1/20 0.53

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
SCHEMBL11374657 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL8621858 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL29549925 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL11365831 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL10522194 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL10383989 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL226194 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL426242 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL9243835 0.98 FAAH (0.72) FAAHHSP90AA1NAAADNM1CNR1
SCHEMBL9204153 0.96 FAAH (0.68) FAAHHSP90AA1NAAADNM1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1880711-B1 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2016-07-20 EP disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 FAAH 2877/4885HSP90AA1 2149/4885NAAA 177/4885
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR FAAH 3425/4885HSP90AA1 861/4885NAAA 1032/4885

“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.