SCHEMBL3200403

SCHEMBL3200403

C=CCNCCC(=O)N(C)CC=C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3260225 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3260234 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3262688 0.80 PHF8 (0.44) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL755895 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3259814 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTTSHRKDM4E
SCHEMBL3258023 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3259466 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3260974 0.76 FAAH (0.33) SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3259655 0.76 FAAH (0.37) ALDH1A1SMN1; SMN2MAPTTSHRFAAH
SCHEMBL3258219 0.76 FAAH (0.33) SMN1; SMN2MAPTTSHRFAAH

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 ALDH1A1 1501/4885SMN1; SMN2 24/4885MAPT 2499/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885SMN1; SMN2 3451/4885MAPT 2324/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885SMN1; SMN2 29/4885MAPT 2212/4885

“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.