SCHEMBL6503129

SCHEMBL6503129

O=C1C=Cc2cccc3cc4ccccc4c1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.51
NQO1 P15559 2/20 0.46
CYP1A2 P05177 3/20 0.42
ACHE P22303 2/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL29358751 1.00 CES1 (0.51) CES1NQO1CYP1A2ACHEERBB2
SCHEMBL6250997 0.78 CES1 (0.51) CES1NQO1CYP1A2ALDH1A1HPGD
SCHEMBL6250540 0.78 NQO1 (0.49) CES1NQO1CYP1A2ALDH1A1HPGD
SCHEMBL4977411 0.77 CES1 (0.43) CES1NQO1CYP1A2ACHEERBB2
SCHEMBL29562021 0.74 CYP1A2 (0.47) CES1NQO1CYP1A2ACHEERBB2
SCHEMBL26028 0.74 CYP1A2 (0.47) CES1NQO1CYP1A2ACHEERBB2
SCHEMBL21832124 0.74 CES1 (0.49) CES1NQO1CYP1A2ACHEERBB2
Triphenylene SCHEMBL22493025 0.73 CYP1A2 (0.46) CES1NQO1CYP1A2ACHEERBB2
SCHEMBL7741289 0.72 CES1 (0.38) CES1CYP1A2ACHEALDH1A1HPGD
SCHEMBL5716919 0.72 CES1 (0.79) CES1NQO1CYP1A2ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695308-A1 ENGINEERED ANTIBODIES AND USES THEREOF Invitrogen BioServices India Private Limited (IN) 2026-02-18 EP claimed
WO-2025057225-A1 ENGINEERED ANTIBODIES AND USES THEREOF INVITROGEN BIOSERVICES INDIA PRIVATE LIMITED (IN) 2025-03-20 WO claimed
EP-4695308-A1 ENGINEERED ANTIBODIES AND USES THEREOF Invitrogen BioServices India Private Limited (IN) 2026-02-18 EP disclosed
WO-2025057225-A1 ENGINEERED ANTIBODIES AND USES THEREOF INVITROGEN BIOSERVICES INDIA PRIVATE LIMITED (IN) 2025-03-20 WO disclosed
US-20240327655-A1 DYE-LABELED POLYMERS AND METHODS FOR PREPARING SAME DEBOGY MOLECULAR, INC. (US) 2024-10-03 US disclosed
CN-116173036-A E Mi Litong for glioma 昂克希尔迪克斯有限公司 2023-05-30 CN disclosed
CN-115803333-A Trinucleotide cap analogs, their preparation and use 生命技术公司 2023-03-14 CN disclosed
WO-2022204569-A1 DYE-LABELED POLYMERS AND METHODS FOR PREPARING SAME DEBOGY MOLECULAR, INC. (US) 2022-09-29 WO disclosed
CN-110546273-A quantification of NGS DNA by adaptor sequences LIFE TECHNOLOGIES CORP 2019-12-06 CN disclosed
US-20050250957-A1 Compounds containing thiosulfate moieties MOLECULAR PROBES, INC 2005-11-10 US disclosed
WO-2005047242-A2 COMPOUNDS CONTAINING THIOSULFATE MOIETIES MOLECULAR PROBES, INC. (US) 2005-05-26 WO disclosed
US-5362628-A Analyzing MOLECULAR PROBES, INC. (US) 1994-11-08 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-20240327655-A1 DYE-LABELED POLYMERS AND METHODS FOR PREPARING SAME ALG1, CD99, GUSB CES1 2129/4885NQO1 4837/4885CYP1A2 3072/4885
US-20050250957-A1 Compounds containing thiosulfate moieties TST, MPST, STS CES1 2063/4885NQO1 113/4885CYP1A2 1959/4885

“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.