SCHEMBL3259704

SCHEMBL3259704

O=C(O)CCN1CCCCC1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.43
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.36
GLA P06280 1/20 0.36
TERT O14746 6/20 0.35
ALDH1A1 P00352 1/20 0.35
OGFRL1 Q5TC84 1/20 0.33
LMNA P02545 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
SCHEMBL11594623 0.81 LMNA (0.41) LTA4HCYP1A2MAPK1SMN1; SMN2HRH3
SCHEMBL499914 0.79 HRH3 (0.55) LTA4HHRH3TERTLMNA
SCHEMBL24795889 0.78 OPRD1 (0.48) CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL28570207 0.77 L3MBTL1 (0.47) LTA4HCYP1A2SMN1; SMN2HRH3TERT
SCHEMBL500612 0.77 LTA4H (0.43) LTA4HCYP1A2MAPK1SMN1; SMN2HRH3
SCHEMBL9181496 0.77 TERT (0.51) LTA4HTERT
SCHEMBL4034937 0.75 AGL (0.36) TERT
Succinic Acid SCHEMBL28602780 0.74 ALDH1A1 (0.40) CYP1A2MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL29952365 0.74 ACE (0.40) LTA4HHRH3OGFRL1
SCHEMBL29952267 0.74 ACE (0.40) LTA4HHRH3OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN 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-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
CN-102319184-A Parakeratosis inhibitor, pore contracting agent and composition for external application SHISEIDO CO LTD 2012-01-18 CN disclosed
CN-101175470-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2011-09-14 CN disclosed
CN-101267803-B Wrinkle-improving agent SHISEIDO CO LTD 2011-06-08 CN disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
CN-101267803-A Wrinkle-improving agent SHISEIDO CO LTD (JP) 2008-09-17 CN disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
CN-101175470-A Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2008-05-07 CN 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 LTA4H 221/4885CYP1A2 3833/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LTA4H 862/4885CYP1A2 3980/4885MAPK1 2393/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LTA4H 304/4885CYP1A2 3658/4885MAPK1 2010/4885

“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.