SCHEMBL3202776

SCHEMBL3202776

CCCCOc1ccccc1C[C]=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
PPARD Q03181 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
PRKCD Q05655 1/20 0.43
PAK1 Q13153 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43

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
SCHEMBL9260429 0.93 MAPT (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL910377 0.91 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL910695 0.84 L3MBTL1 (0.59) L3MBTL1MAPTATMNPSR1ALDH1A1
SCHEMBL9689273 0.83 L3MBTL1 (0.69) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL3210770 0.83 PPARD (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL10634246 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL8036343 0.80 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL5513811 0.80 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL16437110 0.79 L3MBTL1 (0.48) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL9833768 0.79 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT

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 CYP1A2 3833/4885CYP2C9 4495/4885CYP2C19 4474/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP1A2 3980/4885CYP2C9 4638/4885CYP2C19 4494/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3658/4885CYP2C9 4491/4885CYP2C19 4454/4885

“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.