SCHEMBL3261570

SCHEMBL3261570

CCN(NC1CCCCC1)C(=O)CCN

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
EPHX1 P07099 6/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3259369 0.88 EPHX1 (0.37) KMT2AEPHX1ALDH1A1KDM4EL3MBTL1
SCHEMBL3262162 0.80 ALDH1A1 (0.35) EPHX1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3263337 0.80 PKM (0.36) EPHX1ALDH1A1KDM4EL3MBTL1THRB
SCHEMBL3261043 0.76 EPHX1 (0.37) EPHX1ALDH1A1ATMSMN1; SMN2
SCHEMBL14221440 0.73 THRB (0.44) KMT2AALDH1A1KDM4EL3MBTL1THRB
SCHEMBL25982230 0.71 L3MBTL1 (0.63) KMT2AALDH1A1KDM4EL3MBTL1ATM
SCHEMBL3260401 0.70 CTSD (0.34)
SCHEMBL3261565 0.70 CYP1A2 (0.31)
SCHEMBL4636977 0.70 CYP1A2 (0.32)
SCHEMBL3264062 0.68 L3MBTL1 (0.41) KMT2AALDH1A1KDM4EL3MBTL1SMN1; SMN2

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
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-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 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 (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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4332/4885EPHX1 3679/4885ALDH1A1 1501/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KMT2A 4216/4885EPHX1 3301/4885ALDH1A1 3543/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4416/4885EPHX1 3879/4885ALDH1A1 1151/4885

“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.