SCHEMBL20508231

SCHEMBL20508231

C#Cc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 4/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 7/20 0.39
HPGD P15428 5/20 0.39
HIF1A Q16665 4/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 3/20 0.36
CASP1 P29466 3/20 0.36
MAPK1 P28482 2/20 0.36
CASP7 P55210 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL30918302 0.84 ALDH1A1 (0.41) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL937286 0.84 ALDH1A1 (0.41) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL28776208 0.83 ALDH1A1 (0.45) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL5478906 0.82 ALDH1A1 (0.40) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL11126907 0.82 ALDH1A1 (0.40) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL6129153 0.82 HSD17B10 (0.48) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL6033716 0.81 ALDH1A1 (0.43) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL22319408 0.81 CYP1A2 (0.44) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL30345748 0.81 CA1 (0.46) CYP1B1CYP1A1CYP1A2ERBB2FYN
SCHEMBL4190016 0.81 CYP1A2 (0.44) CYP1B1CYP1A1CYP1A2ERBB2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125119-B2 Series of resveratrol-derivative fluorescently labeled molecules and synthesis method thereof HANGZHOU NORMAL UNIVERSITY (CN) 2018-11-13 US claimed
US-20180273514-A1 Series of Resveratrol-Derivative Fluorescently Labeled Molecules and Synthesis Method Thereof HANGZHOU NORMAL UNIVERSITY (CN) 2018-09-27 US claimed
CN-113024426-B Synthesis and application of probe for detecting and imaging aluminum ions in organism 浙江师范大学 2022-06-10 CN disclosed
CN-113024426-A Synthesis and application of aggregation-induced phosphorescence molecular probe for aluminum ion detection and imaging in organism 浙江师范大学 2021-06-25 CN disclosed
US-10125119-B2 Series of resveratrol-derivative fluorescently labeled molecules and synthesis method thereof HANGZHOU NORMAL UNIVERSITY (CN) 2018-11-13 US disclosed
US-20180273514-A1 Series of Resveratrol-Derivative Fluorescently Labeled Molecules and Synthesis Method Thereof HANGZHOU NORMAL UNIVERSITY (CN) 2018-09-27 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-20180273514-A1 Series of Resveratrol-Derivative Fluorescently Labeled Molecules and Synthesis Method Thereof KDR, VEGFA, IK CYP1B1 1977/4885CYP1A1 1670/4885CYP1A2 2746/4885
US-10125119-B2 Series of resveratrol-derivative fluorescently labeled molecules and synthesis method thereof KDR, VEGFA, IK CYP1B1 1977/4885CYP1A1 1670/4885CYP1A2 2746/4885

“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.