SCHEMBL3205666

SCHEMBL3205666

C=CCN(CC)C(=O)CCN

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.43
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL3203831 0.88 ALDH1A1 (0.68) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL3198850 0.85 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL9806982 0.84 ALDH1A1 (0.57) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL12073359 0.82 ALDH1A1 (0.55) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL473339 0.81 LMNA (0.64) ALDH1A1LMNAMMP1MMP2MMP3
SCHEMBL17152923 0.81 ALDH1A1 (0.70) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL9067644 0.79 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL22525574 0.79 ALDH1A1 (0.62) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL24225014 0.78 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4MAPT
SCHEMBL3259969 0.78 ALDH1A1 (0.37) ALDH1A1SLC6A2SLC6A4

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 ALDH1A1 1501/4885LMNA 133/4885SLC6A2 2699/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885LMNA 277/4885SLC6A2 3292/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885LMNA 105/4885SLC6A2 3077/4885

“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.