SCHEMBL868543

SCHEMBL868543

O=C(O)CNCCc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
AKR1B1 P15121 1/20 0.65
GRB2 P62993 1/20 0.65
HSD17B3 P37058 12/20 0.61
ALDH1A1 P00352 4/20 0.59
GAA P10253 3/20 0.59
ERAP1 Q9NZ08 1/20 0.59
KDM4E B2RXH2 3/20 0.56
GLA P06280 2/20 0.56
KMT2A Q03164 1/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL4558147 0.99 LCK (0.64) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL2791708 0.85 AKR1B1 (0.74) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL16197641 0.84 HSD17B3 (0.64) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL10093731 0.83 ALDH1A1 (0.71) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL14618025 0.82 ALDH1A1 (0.69) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL23326972 0.80 LCK (0.73) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL263980 0.79 AKR1B1 (1.00) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL4215955 0.78 HSD17B3 (0.75) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL8396287 0.77 HSD17B3 (0.69) LCKFYNAKR1B1GRB2HSD17B3
SCHEMBL536846 0.76 HSD17B3 (1.00) LCKFYNAKR1B1GRB2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940506-B2 High-sensitive fluorescent energy transfer assay using fluoresent amino acids and fluorescent proteins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 US claimed
WO-2014046731-A1 PREPARATION OF CYCLOTIDES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-27 WO claimed
US-20120329162-A1 GENETICALLY ENCODED FLUORESCENT COUMARIN AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 US claimed
US-8192952-B2 Genetically encoded fluorescent coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-06-05 US claimed
US-7807411-B2 Genetically encoded fluorescent coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-05 US claimed
US-20090298119-A1 Genetically encoded coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE 2009-12-03 US claimed
US-20080044886-A1 Genetically encoded fluorescent coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2008-02-21 US claimed
EP-3355885-B1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS INC (US) 2026-02-25 EP disclosed
US-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-11-28 US disclosed
US-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-05-23 US disclosed
US-20240092846-A1 ENGINEERED CYCLOTIDES WITH POTENT BROAD ANTIMICROBIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-21 US disclosed
WO-2023156409-A1 METHODS OF TREATING BLOOD DISORDERS WITH VWF-TARGETED MONOSPECIFIC ANTIBODIES HEMAB APS (DK) 2023-08-24 WO disclosed
US-20120077224-A1 UNNATURAL AMINO ACID INCORPORATION IN EUKARYOTIC CELLS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-03-29 US disclosed
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
EP-2271662-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS The Regents Of The University Of California (US) 2011-01-12 EP disclosed
US-7807411-B2 Genetically encoded fluorescent coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-05 US disclosed
US-20090298119-A1 Genetically encoded coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE 2009-12-03 US disclosed
WO-2009117726-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-24 WO disclosed
US-20080044886-A1 Genetically encoded fluorescent coumarin amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2008-02-21 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 (6 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-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 LCK 3281/4885FYN 3199/4885AKR1B1 216/4885
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS SLC7A1, SARS1, GFPT1 LCK 1909/4885FYN 720/4885AKR1B1 4783/4885
US-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 LCK 3896/4885FYN 3515/4885AKR1B1 1085/4885
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 LCK 3896/4885FYN 3515/4885AKR1B1 1085/4885
US-20080044886-A1 Genetically encoded fluorescent coumarin amino acids AARS1, GARS1, NSUN3 LCK 3589/4885FYN 4378/4885AKR1B1 3145/4885
US-20120329162-A1 GENETICALLY ENCODED FLUORESCENT COUMARIN AMINO ACIDS AARS1, GARS1, NSUN3 LCK 3589/4885FYN 4378/4885AKR1B1 3145/4885

“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.