SCHEMBL4130227

SCHEMBL4130227

OCC(O)N(CCc1ccccc1O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HSPA5 P11021 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MPO P05164 5/20 0.37
AKR1B1 P15121 1/20 0.37
KEAP1 Q14145 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL2988485 0.85 EGFR (0.38) CYP2D6HIF1A
SCHEMBL2987301 0.85 ALOX5 (0.46) TSHR
SCHEMBL2978643 0.84 KDM4E (0.33) HTR2A
SCHEMBL2982521 0.80 HTR1A (0.44) HTR1AHSPA5TAAR1MPOAKR1B1
SCHEMBL2982522 0.80 HTR1A (0.44) HTR1AHSPA5TAAR1MPOAKR1B1
SCHEMBL27796477 0.78 KDM4E (0.46) TAAR1SLC6A4TSHR
SCHEMBL8142434 0.67 TAAR1 (0.50) HTR1AHSPA5TAAR1MPOAKR1B1
SCHEMBL10962774 0.67 HTR1A (0.70) HTR1AHSPA5TAAR1MPOAKR1B1
SCHEMBL36797 0.66 HTR2A (0.65) HTR1AHSPA5TAAR1MPOHTR2A
SCHEMBL1222973 0.66 TAAR1 (0.71) HTR1AHSPA5TAAR1MPOAKR1B1

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 1 patent. 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

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 HTR1A 1100/4885HSPA5 4410/4885TAAR1 2071/4885

“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.