SCHEMBL3199671

SCHEMBL3199671

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM5A P29375 5/20 0.38
FAAH O00519 1/20 0.37
KDM4C Q9H3R0 3/20 0.37
PHF8 Q9UPP1 2/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34

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 0.90 ALDH1A1 (0.41) ALDH1A1ABCC4MAPTMEN1KMT2A
SCHEMBL9296975 0.87 KDM5A (0.50) KDM5AFAAHKDM4CPHF8AKR1B1
SCHEMBL3210952 0.86 KDM5A (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2550180 0.86 KDM4E (0.43) ALDH1A1ABCC4MAPTMEN1KMT2A
SCHEMBL3210574 0.84 HRH3 (0.34) MEN1KMT2ATDP1
SCHEMBL3207388 0.83 HRH3 (0.36) MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL3196836 0.83 HRH3 (0.36) MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL3199687 0.81 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9621247 0.81 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL435287 0.81 TSHR (0.38) ALDH1A1MEN1KMT2ATSHRTDP1

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 FFAR3 1204/4885HDAC3 2365/4885HDAC1 3022/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 FFAR3 4404/4885HDAC3 3511/4885HDAC1 2798/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 FFAR3 1773/4885HDAC3 2798/4885HDAC1 2862/4885

“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.