SCHEMBL3199002

SCHEMBL3199002

COc1ccc(CCNCCC(=O)O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
POLB P06746 1/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 3/20 0.56
ADRB2 P07550 3/20 0.56
MEN1 O00255 2/20 0.56
SLC2A1 P11166 1/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
MAPT P10636 1/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56

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
SCHEMBL7331861 0.92 PLAAT3 (0.57) CA12CA1CA2CA9POLB
SCHEMBL11602508 0.90 PKM (0.62) CA12CA1CA2CA9POLB
SCHEMBL3209768 0.89 GAA (0.60) CA12CA1CA2CA9KMT2A
SCHEMBL3204252 0.89 ALOX5 (0.63) ALDH1A1ADRB2
SCHEMBL3187109 0.87 KDM4E (0.64) CA12CA1CA2CA9POLB
SCHEMBL7435099 0.86 ATM (0.76) CA12CA1CA2CA9POLB
SCHEMBL347209 0.84 FFAR4 (0.61) CA12CA1CA2CA9ATM
Hydrochloric Acid SCHEMBL11808765 0.84 ATM (0.73) CA12CA1CA2CA9POLB
SCHEMBL3199504 0.84 KMT2A (0.54) CA12CA1CA2CA9POLB
SCHEMBL16980880 0.83 GAA (0.55) POLBALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US 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 CA12 4689/4885CA1 4651/4885CA2 2941/4885
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 CA12 2028/4885CA1 1175/4885CA2 1729/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA12 4676/4885CA1 4609/4885CA2 3261/4885

“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.