SCHEMBL3207946

SCHEMBL3207946

COc1cc(CNCCC(=O)O)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 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
Acetic Acid SCHEMBL6714814 0.87 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL5308861 0.87 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3199504 0.86 KMT2A (0.54) MEN1KMT2AKDM4EALDH1A1TDP1
Acetic Acid SCHEMBL8322779 0.84 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3187109 0.83 KDM4E (0.64) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL207179 0.83 GAA (0.62) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL9832305 0.82 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL8533124 0.81 GAA (0.60) MEN1KMT2AKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL8410665 0.81 GAA (0.65) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8026574 0.81 GAA (0.60) MEN1KMT2AKDM4EALDH1A1POLB

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 MEN1 3690/4885KMT2A 4332/4885KDM4E 4157/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MEN1 1767/4885KMT2A 4216/4885KDM4E 3885/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MEN1 3470/4885KMT2A 4416/4885KDM4E 4258/4885

“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.