SCHEMBL2987382

SCHEMBL2987382

CCC(O)c1cc(O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TYR P14679 3/20 0.42
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MIF P14174 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.42
TSHR P16473 1/20 0.41
PDE2A O00408 1/20 0.40
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL2984532 0.83 TYR (0.47) TYRPDE2A
SCHEMBL12610365 0.83 TYR (0.47) TYRPDE2A
SCHEMBL14283776 0.81 LMNA (0.43) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL9150253 0.81 CYP3A4 (0.42) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL7150196 0.81 TAAR1 (0.54) ADRA2AADRA2BADRA2CLMNAALOX15
SCHEMBL122882 0.81 RORC (0.61) TYRLMNACYP2C9ALOX15NR1I2
SCHEMBL31392617 0.80 RAD52 (0.55) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL11158917 0.80 TYR (0.49) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL28343867 0.79 RORC (0.59) TYRLMNACYP2C9ALOX15NR1I2
SCHEMBL31392615 0.79 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CTYRLMNA

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 ADRA2A 944/4885ADRA2B 882/4885ADRA2C 1348/4885

“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.