SCHEMBL2987281

SCHEMBL2987281

CCC(O)c1c(O)cc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PTGS1 P23219 1/20 0.40
DRD3 P35462 1/20 0.40
EGFR P00533 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
LMNA P02545 2/20 0.38
NQO1 P15559 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
HIF1A Q16665 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRA1A P35348 1/20 0.35
RXRA P19793 1/20 0.35
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.34

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 0.76 LMNA (0.48) CYP3A4EGFRLMNATDP1TSHR
SCHEMBL20621450 0.76 RXRA (0.46) CYP3A4KMT2AMEN1PTGS1DRD3
SCHEMBL2982556 0.76 PDE2A (0.40) CYP3A4KMT2AMEN1PTGS1DRD3
SCHEMBL2991074 0.73 ADRB2 (0.55) CYP3A4KMT2AMEN1PTGS1LMNA
SCHEMBL17706596 0.73 ADRB2 (0.55) CYP3A4KMT2AMEN1PTGS1LMNA
SCHEMBL2979291 0.72 EGFR (0.50) CYP3A4KMT2AMEN1PTGS1DRD3
SCHEMBL2984532 0.71 TYR (0.47) TYR
SCHEMBL12610365 0.71 TYR (0.47) TYR
SCHEMBL10711493 0.71 ADRB2 (0.33) ADRB2TYR
SCHEMBL31545466 0.71 CYP3A4 (0.42) CYP3A4KMT2AMEN1PTGS1DRD3

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-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
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 (2 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 CYP3A4 1115/4885KMT2A 2383/4885MEN1 4836/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C CYP3A4 4047/4885KMT2A 1885/4885MEN1 3305/4885

“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.