SCHEMBL2987008

SCHEMBL2987008

OC[C@@H]1CCCN1CCc1c(O)cccc1O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.52
SPHK1 Q9NYA1 7/20 0.52
PARP1 P09874 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL4139443 0.84 HRH3 (0.68) SPHK2SPHK1PARP1HRH3HTR1D
SCHEMBL5273834 0.78 SPHK1 (0.44) SPHK2SPHK1
SCHEMBL27627908 0.78 SPHK2 (0.66) SPHK2SPHK1HRH3
SCHEMBL27191664 0.77 HTR2A (0.62) PARP1HRH3HTR1DHTR1B
SCHEMBL27191697 0.77 HTR2A (0.62) PARP1HRH3HTR1DHTR1B
SCHEMBL2988327 0.77 CYP2C19 (0.47) HRH3
SCHEMBL2987386 0.75 SPHK2 (0.49) SPHK2SPHK1PARP1HRH3ADRA1D
SCHEMBL2974153 0.75 SPHK2 (0.49) SPHK2SPHK1PARP1HRH3ADRA1D
SCHEMBL2985210 0.75 GBA1 (0.55)
SCHEMBL2985211 0.75 SPHK1 (0.37) SPHK2SPHK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
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 SPHK2 2315/4885SPHK1 2052/4885PARP1 1946/4885

“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.