SCHEMBL2980902

SCHEMBL2980902

CCC(O)c1c(O)ccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRB2 P07550 3/20 0.38
ADRA1B P35368 2/20 0.38
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NFKB1 P19838 1/20 0.34
BCHE P06276 1/20 0.34
TYR P14679 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2989118 0.79 LMNA (0.48) LMNAADRA2AADRA2BADRA2CADRB1
SCHEMBL27426169 0.78 LMNA (0.44) LMNATSHRCYP3A4KDM4EMAPK1
SCHEMBL2976451 0.76 ADRB2 (0.46) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL2982537 0.73 RNASEH1 (0.39) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL23530145 0.71 ALDH1A1 (0.36) LMNATSHRCYP3A4KDM4ETDP1
SCHEMBL13773184 0.70 RNASEH1 (0.45) LMNAADRA2BADRA1ATSHRCYP3A4
SCHEMBL2987281 0.70 CYP3A4 (0.40) LMNAADRA1AADRB2TSHRCYP3A4
SCHEMBL7055516 0.70 LMNA (0.44) LMNAADRA2AADRA2BADRA2CADRB1
SCHEMBL5382277 0.70 BCHE (0.35) LMNACYP3A4KDM4EMAPK1BCHE
SCHEMBL2989016 0.70 TSHR (0.55) LMNAADRA2AADRA2BADRA2CADRA1A

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 LMNA 167/4885ADRA2A 944/4885ADRA2B 882/4885

“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.