SCHEMBL3199509

SCHEMBL3199509

CCN(CC)CCC(=O)O.NC(=O)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM5A P29375 3/20 0.36
KDM4C Q9H3R0 2/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ALDH2 P05091 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PAOX Q6QHF9 1/20 0.32

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
SCHEMBL3203439 0.98 L3MBTL1 (0.38) HRH3L3MBTL1KDM5AKDM4CPOLB
SCHEMBL3187043 0.98 L3MBTL1 (0.38) HRH3L3MBTL1KDM5AKDM4CPOLB
SCHEMBL3204014 0.92 KDM5A (0.39) HRH3L3MBTL1KDM5AKDM4CPOLB
SCHEMBL3197423 0.91 HRH3 (0.39) HRH3L3MBTL1KDM5AKDM4CPOLB
SCHEMBL3207402 0.91 HRH3 (0.39) HRH3L3MBTL1KDM5AKDM4CPOLB
SCHEMBL3206435 0.89 L3MBTL1 (0.39) HRH3L3MBTL1KDM5AKDM4CTSHR
SCHEMBL3213464 0.87 L3MBTL1 (0.40) HRH3L3MBTL1KDM5AKDM4CKMT2A
SCHEMBL3196933 0.87 L3MBTL1 (0.40) HRH3L3MBTL1KDM5AKDM4CKMT2A
SCHEMBL3199033 0.87 KDM5A (0.31) HRH3L3MBTL1KDM5AKDM4CMITF
SCHEMBL3214473 0.86 MEN1 (0.32) L3MBTL1KDM5AKDM4CPOLBTSHR

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 HRH3 2386/4885L3MBTL1 874/4885KDM5A 4278/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HRH3 3127/4885L3MBTL1 1100/4885KDM5A 4697/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HRH3 2573/4885L3MBTL1 999/4885KDM5A 4370/4885

“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.