SCHEMBL3210778

SCHEMBL3210778

CCCCOc1ccccc1CCC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
PRKCD Q05655 1/20 0.47
PAK1 Q13153 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9264764 0.94 MAPT (0.49) PPARDL3MBTL1MAPTNPSR1THRA
SCHEMBL910858 0.92 L3MBTL1 (0.49) PPARDL3MBTL1MAPTHPGDATM
SCHEMBL3951082 0.86 THRA (0.53) PPARDL3MBTL1MAPTNPSR1THRA
SCHEMBL910556 0.85 L3MBTL1 (0.56) L3MBTL1MAPTATMNPSR1GAA
SCHEMBL8072069 0.84 CYP1A2 (0.49) PPARDL3MBTL1MAPTHPGDATM
SCHEMBL7297066 0.83 MAPT (0.45) PPARDL3MBTL1MAPTNPSR1THRA
SCHEMBL7999552 0.83 PPARD (0.60) PPARDL3MBTL1MAPTHPGDATM
SCHEMBL919038 0.83 CYP1A2 (0.58) PPARDL3MBTL1MAPTHPGDATM
SCHEMBL8047372 0.81 CYP1A2 (0.53) PPARDL3MBTL1MAPTHPGDATM
SCHEMBL9689273 0.81 L3MBTL1 (0.69) PPARDL3MBTL1MAPTHPGDATM

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 PPARD 794/4885L3MBTL1 874/4885MAPT 2499/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PPARD 4410/4885L3MBTL1 1100/4885MAPT 2324/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PPARD 830/4885L3MBTL1 999/4885MAPT 2212/4885

“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.