SCHEMBL550683

SCHEMBL550683

Cc1cccc2ccc3ccccc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
CYP2A6 P11509 5/20 0.65
CYP1A2 P05177 9/20 0.55
HSD17B10 Q99714 8/20 0.55
HPGD P15428 6/20 0.55
THRB P10828 1/20 0.54
TSHR P16473 6/20 0.54
CYP3A4 P08684 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HIF1A Q16665 2/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
RAB9A P51151 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
HPRT1 P00492 1/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A1 P04798 1/20 0.46
MAOA P21397 2/20 0.43

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
SCHEMBL27878512 1.00 ALDH1A1 (0.65) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL597308 0.93 ALDH1A1 (0.62) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL598916 0.89 ALDH1A1 (0.60) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL599370 0.84 ALDH1A1 (0.61) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
Pyrene SCHEMBL9222927 0.82 ALDH1A1 (0.74) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL4647758 0.82 CYP1A2 (0.59) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL597448 0.80 CYP1A2 (0.73) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL2003458 0.80 CYP1A2 (0.55) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
O-Xylene SCHEMBL27935748 0.80 ALDH1A1 (0.64) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL18810726 0.80 ALDH1A1 (0.52) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466292-A Ruthenium complex probe and preparation method and application thereof 兰州大学 2022-12-13 CN claimed
US-11029303-B2 PAH antibodies and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-06-08 US claimed
WO-2016196638-A2 PAH ANTIBODIES AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-12-08 WO claimed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
CN-119979211-A Method for preparing oil products by mild catalytic pyrolysis of low-rank coal in two steps of oxidation-hydrogenation 太原理工大学 2025-05-13 CN disclosed
CN-119186510-A Novel graphene oxide coated adsorption material, preparation method and application thereof 中国检验检疫科学研究院 2024-12-27 CN disclosed
CN-117813500-A Optical detection chip and optical detection system 公立大学法人北九州市立大学 2024-04-02 CN disclosed
CN-115125158-B Bacterial strain and microbial inoculum for degrading petroleum hydrocarbon and application thereof 东北石油大学 2023-04-25 CN disclosed
US-20230045778-A9 HETEROGENEOUS HYDROGEN-CATALYST SOLID FUEL REACTION MIXTURE AND REACTOR BRILLIANT LIGHT POWER, INC. (US) 2023-02-09 US disclosed
CN-115125158-A Bacterial strain and microbial inoculum for degrading petroleum hydrocarbon and application thereof 东北石油大学 2022-09-30 CN disclosed
CN-112441920-B Method for copper photocatalytic synthesis of 9-acetoxyl-9, 10-dihydrophenanthrene compound 浙江工业大学 2022-03-18 CN disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
US-6204429-B1 SUPPLYING SHOCK WAVES TI SOIL WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2001-03-20 US disclosed
US-5493730-A Articles of protective clothing adapted for deflecting chemical permeation and methods therefor MARTIN MARIETTA ENERGY SYSTEMS, INC. (US) 1996-02-27 US disclosed
US-5376554-A Detecting permeation of hazardous material through protective clothing MARTIN MARIETTA ENERGY SYSTEMS, INC. (US) 1994-12-27 US disclosed
US-5147538-A Field-portable apparatus and method for analytical supercritical fluid extraction of sorbent materials ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) 1992-09-15 US disclosed
US-5087360-A Field-portable apparatus and method for analytical supercritical fluid extraction of sorbent materials ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) 1992-02-11 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 (3 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-11029303-B2 PAH antibodies and uses thereof PAH, AHR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1506/4885CYP2A6 1092/4885CYP1A2 567/4885
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 ALDH1A1 3874/4885CYP2A6 4027/4885CYP1A2 1592/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS ALDH1A1 14/4885CYP2A6 1024/4885CYP1A2 592/4885

“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.