SCHEMBL3207393

SCHEMBL3207393

O=C(O)CCNCCc1ccc(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
PTGS2 P35354 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
OPRK1 P41145 1/20 0.60
SLC6A3 Q01959 1/20 0.60
PDE4D Q08499 1/20 0.60
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
MAPT P10636 6/20 0.57
HSD17B10 Q99714 4/20 0.57
HIF1A Q16665 3/20 0.57

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
SCHEMBL11017571 0.88 MAPT (0.58) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29777347 0.88 MAPT (0.58) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29691000 0.88 ADRB2 (0.71) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL29220030 0.88 ADRB2 (0.71) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL11806768 0.86 DRD1 (0.71) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL30088530 0.86 DRD1 (0.71) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL3197575 0.85 KDM4E (0.55) ADORA3PTGS2MAPTHSD17B10HIF1A
Bromide SCHEMBL11805167 0.84 DRD1 (0.69) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL3197224 0.83 SELP (0.43) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL3204252 0.82 ALOX5 (0.63) ADRB2DRD1DRD3LMNAALDH1A1

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 ADRB2 1205/4885ADORA3 316/4885CHRM1 2018/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ADRB2 4371/4885ADORA3 4122/4885CHRM1 4808/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADRB2 1251/4885ADORA3 477/4885CHRM1 2161/4885

“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.