SCHEMBL3209970

SCHEMBL3209970

CCCOc1cccc(CCNCCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.59
KCNH2 Q12809 3/20 0.58
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 1/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL3200254 0.94 CYP2D6 (0.67) CYP2D6KCNH2S1PR1S1PR3POLB
SCHEMBL3210270 0.90 CYP2D6 (0.56) CYP2D6KCNH2CA1CA2CA7
SCHEMBL15890759 0.88 FFAR1 (0.62) CYP2D6S1PR1S1PR3LTA4H
SCHEMBL3208902 0.88 KDM4E (0.54) CYP2D6S1PR1S1PR3POLBKMT2A
Trifluoroacetic Acid SCHEMBL947966 0.87 CYP2D6 (0.60) CYP2D6KCNH2S1PR1S1PR3LTA4H
SCHEMBL15891006 0.87 S1PR1 (0.70) CYP2D6S1PR1S1PR3LTA4H
SCHEMBL15890906 0.86 HPGD (0.57) CYP2D6KCNH2S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL948321 0.86 CYP2D6 (0.61) CYP2D6KCNH2S1PR1POLBPPARG
SCHEMBL1206748 0.86 LMNA (0.68) KMT2ALMNAL3MBTL1PPARGPPARA
Trifluoroacetic Acid SCHEMBL947011 0.85 CYP2D6 (0.61) CYP2D6KCNH2S1PR1S1PR3PPARG

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 CYP2D6 4781/4885KCNH2 4261/4885CA1 4651/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP2D6 4722/4885KCNH2 1345/4885CA1 1466/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP2D6 4804/4885KCNH2 4324/4885CA1 4609/4885

“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.