SCHEMBL3077154

SCHEMBL3077154

C=CCOC(=O)[C@H](CS)NCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.32
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL9759966 0.74 MAPT (0.37) TSHRTDP1SMN1; SMN2MAPTCACNA1B
SCHEMBL30543061 0.74 KDM4E (0.42) TDP1SMN1; SMN2MAPT
SCHEMBL8859864 0.74 KDM4E (0.42) TDP1SMN1; SMN2MAPT
SCHEMBL10975759 0.71 CASP1 (0.44) SMN1; SMN2
SCHEMBL991007 0.71 ACHE (0.51) TDP1EPHX2
SCHEMBL10976689 0.71 CASP1 (0.44) SMN1; SMN2
SCHEMBL14458906 0.71 ACHE (0.51) TDP1EPHX2
SCHEMBL2791101 0.70 SMN1; SMN2 (0.52) TSHRTDP1SMN1; SMN2MAPTCACNA1B
SCHEMBL8628765 0.70 SMN1; SMN2 (0.52) TSHRTDP1SMN1; SMN2MAPTCACNA1B
SCHEMBL2791099 0.70 SMN1; SMN2 (0.52) TSHRTDP1SMN1; SMN2MAPTCACNA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US 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 (1 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 TSHR 2624/4885TDP1 1464/4885SMN1; SMN2 4656/4885

“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.