SCHEMBL7547211

SCHEMBL7547211

O=C1c2ccccc2C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.73
CYP3A4 P08684 3/20 0.73
TSHR P16473 3/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C9 P11712 3/20 0.73
ALOX15 P16050 2/20 0.73
ADRA1D P25100 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
KCNH2 Q12809 2/20 0.57
PBRM1 Q86U86 1/20 0.56
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APEX1 P27695 1/20 0.44
MEN1 O00255 1/20 0.44
CDC25B P30305 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.42

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
SCHEMBL31476412 1.00 KCNQ2 (0.73) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL4264901 0.87 KCNQ2 (0.55) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL29384236 0.85 KCNQ2 (1.00) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL2761225 0.85 KCNQ2 (1.00) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL23567578 0.84 KCNQ2 (0.55) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL29546311 0.84 KCNQ2 (0.55) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL11490783 0.82 KCNQ2 (0.53) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL28767884 0.79 KCNQ2 (0.49) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL11493859 0.78 KCNQ2 (0.49) KCNQ2CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL13002451 0.77 KCNQ2 (0.82) KCNQ2CYP3A4TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656340-B Aromatized chain transfer reagent and preparation method thereof 北京大学 2023-03-21 CN claimed
CN-114656340-A Aromatized chain transfer reagent and preparation method thereof 北京大学 2022-06-24 CN claimed
CN-100509740-C 10,10-dibenzyl anthrone and derivative and synthetic method thereof GUANGZHOU INST OF CHEMISTRY (CN) 2009-07-08 CN claimed
CN-114656340-B Aromatized chain transfer reagent and preparation method thereof 北京大学 2023-03-21 CN disclosed
CN-114656340-A Aromatized chain transfer reagent and preparation method thereof 北京大学 2022-06-24 CN disclosed
CN-100509740-C 10,10-dibenzyl anthrone and derivative and synthetic method thereof GUANGZHOU INST OF CHEMISTRY (CN) 2009-07-08 CN disclosed
CN-100509740-C 10,10-dibenzyl anthrone and derivative and synthetic method thereof GUANGZHOU INST OF CHEMISTRY (CN) 2009-07-08 CN disclosed
CN-100509740-C 10,10-dibenzyl anthrone and derivative and synthetic method thereof GUANGZHOU INST OF CHEMISTRY (CN) 2009-07-08 CN disclosed
CN-1858033-A 10,10-dibenzyl anthrone and its derivative and synthetic method GUANGZHOU INST CHEMISTRY CAS (CN) 2006-11-08 CN disclosed
CN-1858033-A 10,10-dibenzyl anthrone and its derivative and synthetic method GUANGZHOU INST CHEMISTRY CAS (CN) 2006-11-08 CN disclosed
CN-1858033-A 10,10-dibenzyl anthrone and its derivative and synthetic method GUANGZHOU INST CHEMISTRY CAS (CN) 2006-11-08 CN disclosed
US-6410754-B1 OPTIC LENSES (GLASSES, SUNGLASSES); HIGH COLORABILITY AND SENSITIVITY TO ACTIVATING IRRADIATION FLAMEL TECHNOLOGIES (FR) 2002-06-25 US disclosed
US-20020049341-A1 PHOTOCHROMIC SPIROPYRANS, AND COMPOSITIONS AND ARTICLES CONTAINING SAME FLAMEL TECHNOLOGIES (FR) 2002-04-25 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-20020049341-A1 PHOTOCHROMIC SPIROPYRANS, AND COMPOSITIONS AND ARTICLES CONTAINING SAME ALDH1A2, RB1, CRYAA KCNQ2 1586/4885CYP3A4 217/4885TSHR 2900/4885

“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.