SCHEMBL3203831

SCHEMBL3203831

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 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
SCHEMBL3205666 0.88 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL16350574 0.85 ALDH1A1 (0.81) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL3198850 0.85 ALDH1A1 (0.50) ALDH1A1POLBLMNAHPGDALOX12
SCHEMBL8068413 0.81 ALDH1A1 (0.91) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL2343049 0.81 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2RAB9ADPP4
SCHEMBL1958587 0.80 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL2339831 0.79 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2RAB9ADPP4
SCHEMBL10587120 0.79 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL7629952 0.79 ALDH1A1 (0.86) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL13630658 0.79 ALDH1A1 (0.86) ALDH1A1POLBSMN1; SMN2LMNAHPGD

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 7 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
EP-2601342-B1 METHODS OF TREATING TEXTILE FIBRES SYNTOR FINE CHEMICALS LTD (GB) 2014-12-31 EP 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 1501/4885POLB 1408/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885POLB 1724/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885POLB 882/4885SMN1; SMN2 29/4885

“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.