SCHEMBL3210952

SCHEMBL3210952

C=CCN(CC)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.40
KDM4C Q9H3R0 3/20 0.40
ALDH1A1 P00352 4/20 0.39
ALDH2 P05091 1/20 0.39
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PHF8 Q9UPP1 2/20 0.33
PAOX Q6QHF9 1/20 0.33

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
SCHEMBL45568 0.87 ALDH1A1 (0.41) ALDH1A1ABCC4MAPTKMT2AKDM4E
SCHEMBL2550180 0.87 KDM4E (0.43) ALDH1A1ABCC4MAPTKMT2AKDM4E
SCHEMBL3199671 0.86 FFAR3 (0.39) KDM5AKDM4CALDH1A1ABCC4MAPT
SCHEMBL3199033 0.82 KDM5A (0.31) KDM5AKDM4C
SCHEMBL9296975 0.82 KDM5A (0.50) KDM5AKDM4CALDH1A1KMT2AMEN1
SCHEMBL3214312 0.81 MEN1 (0.32) KDM5AKDM4CKMT2AMEN1SMN1; SMN2
SCHEMBL3214473 0.81 MEN1 (0.32) KDM5AKDM4CKMT2AMEN1SMN1; SMN2
SCHEMBL6560988 0.80 KDM5A (0.53) KDM5AKDM4CALDH1A1ALDH2KMT2A
SCHEMBL105467 0.80 KDM5A (0.48) KDM5AKDM4CALDH1A1ALDH2KMT2A
SCHEMBL26558171 0.79 TDP1 (0.42) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2

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 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.