SCHEMBL3343900

SCHEMBL3343900

Oc1cccc2c1cc1ccc3cccc4ccc2c1c34

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.60
ERBB2 P04626 1/20 0.60
FYN P06241 1/20 0.60
MAOA P21397 1/20 0.60
ACHE P22303 1/20 0.60
AHR P35869 1/20 0.60
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
THRB P10828 2/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DNMT1 P26358 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MCL1 Q07820 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
PLAU P00749 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TSHR P16473 3/20 0.44

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
SCHEMBL29413067 1.00 CYP1A2 (0.60) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6576411 0.85 CYP1A2 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5413311 0.83 ALDH1A1 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28655578 0.81 CYP1A2 (0.56) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847786 0.81 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4850496 0.80 CYP1A2 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847347 0.80 CYP1A2 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846773 0.80 CYP1A2 (0.70) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22170103 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30849902 0.80 CYP1A2 (0.67) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
CN-111057055-B Multichannel mass spectrum derivatization reagent for detecting hydroxyl polycyclic aromatic hydrocarbon, and preparation method and application thereof 曲阜师范大学 2022-03-25 CN disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
CN-111057055-A Multichannel mass spectrum derivatization reagent for detecting hydroxyl polycyclic aromatic hydrocarbon, and preparation method and application thereof 曲阜师范大学 2020-04-24 CN disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO 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 (5 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-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A CYP1A2 3113/4885ERBB2 2070/4885FYN 4258/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 CYP1A2 2214/4885ERBB2 1720/4885FYN 4535/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CYP1A2 2465/4885ERBB2 2244/4885FYN 3717/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP1A2 3574/4885ERBB2 2027/4885FYN 4533/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CYP1A2 3574/4885ERBB2 2027/4885FYN 4533/4885

“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.