SCHEMBL3202475

SCHEMBL3202475

CCOc1ccccc1CC(=O)NCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TAAR1 Q96RJ0 1/20 0.54
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
FOLH1 Q04609 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
GLS O94925 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
HCRTR1 O43613 1/20 0.48

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
SCHEMBL3205671 0.86 TAAR1 (0.72) TSHRTAAR1NPSR1ALDH1A1KMT2A
SCHEMBL3200442 0.83 ALDH1A1 (0.67) CYP2C19NPSR1LMNATHRBALDH1A1
SCHEMBL1628791 0.80 L3MBTL1 (0.62) TSHRCYP2C19NPSR1ALDH1A1L3MBTL1
SCHEMBL3197489 0.79 CYP2C19 (0.51) TSHRTAAR1CYP2C19NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2525349 0.79 L3MBTL1 (0.61) TSHRCYP2C19NPSR1ALDH1A1L3MBTL1
SCHEMBL18294029 0.78 TSHR (0.59) TSHRCYP2C19NPSR1LMNATHRB
SCHEMBL13602497 0.78 ATM (0.51) TSHRTAAR1CYP2C19NPSR1FOLH1
SCHEMBL3200958 0.77 AKR1B1 (0.58) TSHRTAAR1NPSR1KDM4EGAA
SCHEMBL1208625 0.77 L3MBTL1 (0.59) CYP2C19NPSR1LMNATHRBL3MBTL1
SCHEMBL3208935 0.77 HCRTR1 (0.80) TSHRNPSR1ALDH1A1L3MBTL1KMT2A

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 TSHR 4713/4885TAAR1 1466/4885CYP2C19 4474/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TSHR 4711/4885TAAR1 3484/4885CYP2C19 4494/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TSHR 4731/4885TAAR1 1535/4885CYP2C19 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.