SCHEMBL3263128

SCHEMBL3263128

CCCN(C(=O)CCNCC)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.33
KDM4C Q9H3R0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
DNM1 Q05193 2/20 0.33
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PAOX Q6QHF9 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3264862 0.89 PAOX (0.37) KDM5AKDM4CALDH1A1HPGDDNM1
SCHEMBL3260816 0.87 ALDH1A1 (0.32) ALDH1A1TSHRHPGD
SCHEMBL3260084 0.86 LMNA (0.31) ALDH1A1TSHRMEN1GLACYP2C19
SCHEMBL3263459 0.85 ALDH1A1 (0.32) ALDH1A1TSHRHPGDPAOX
SCHEMBL3259741 0.82 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL3259655 0.82 FAAH (0.37) KDM5AKDM4CALDH1A1TSHRHPGD
SCHEMBL3261027 0.81 ALDH1A1 (0.32) ALDH1A1TSHRHPGDPAOX
SCHEMBL3260027 0.79 KDM5A (0.33) KDM5AKDM4CALDH1A1TSHRHPGD
SCHEMBL3262833 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3260371 0.78 PHF8 (0.50) ALDH1A1TSHRMEN1GLACYP2C19

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-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

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 KDM5A 4278/4885KDM4C 4349/4885ALDH1A1 1501/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KDM5A 4697/4885KDM4C 4476/4885ALDH1A1 3543/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KDM5A 4370/4885KDM4C 4459/4885ALDH1A1 1151/4885

“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.