SCHEMBL3200742

SCHEMBL3200742

C=CCN(CC=C)CCC(=O)O.NC(=O)N1CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ATM Q13315 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
SCHEMBL3195763 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2MAPK1KDM4EMEN1
SCHEMBL3197559 0.98 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2MAPK1KDM4EMEN1
SCHEMBL3196836 0.92 HRH3 (0.36) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A
SCHEMBL3207388 0.92 HRH3 (0.36) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A
SCHEMBL3214473 0.92 MEN1 (0.32) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A
SCHEMBL3214312 0.92 MEN1 (0.32) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A
SCHEMBL3210574 0.90 HRH3 (0.34) MEN1KMT2AL3MBTL1
SCHEMBL3199033 0.90 KDM5A (0.31) L3MBTL1
SCHEMBL3199804 0.86 ITGB3 (0.32) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A
SCHEMBL3187141 0.86 ITGB3 (0.32) SMN1; SMN2CYP1A2MAPK1MEN1KMT2A

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 SMN1; SMN2 24/4885CYP1A2 3833/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 SMN1; SMN2 3451/4885CYP1A2 3980/4885MAPK1 2393/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 SMN1; SMN2 29/4885CYP1A2 3658/4885MAPK1 2010/4885

“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.