SCHEMBL346418

SCHEMBL346418

CCCCC(CC)=C(CCCC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.45
CES2 O00748 5/20 0.45
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Ethylene Glycol SCHEMBL10986319 0.91 ALDH1A1 (0.45) CES1CES2ALDH1A1TP53CA1
SCHEMBL4791139 0.90 CES2 (0.48) CES1CES2ALDH1A1TSHRAKR1B1
SCHEMBL27912995 0.88 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
Ammonia Solution, Strong SCHEMBL4627589 0.86 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL11068780 0.84 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL11068782 0.84 CES2 (0.52) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL10474453 0.81 CES1 (0.42) CES1CES2ALDH1A1TP53CA1
SCHEMBL453159 0.81 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL10349515 0.80 CES2 (0.55) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL8845242 0.79 TSHR (0.40) CES1CES2ALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100363-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF ORCA HOLDINGS, LLC 2023-03-30 US claimed
US-20220177666-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF ORCA HOLDINGS, LLC 2022-06-09 US claimed
EP-3938359-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF 6th Wave Innovations Corp. (US) 2022-01-19 EP claimed
WO-2020186077-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF 6th Wave Innovations Corp. (US) 2020-09-17 WO claimed
US-7678870-B2 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-16 US claimed
US-20070197746-A1 Processable molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY 2007-08-23 US claimed
EP-1733211-A4 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2007-05-30 EP claimed
EP-1733211-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 EP claimed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 WO claimed
US-20240181430-A1 POROUS SORPTIVE SOLID PHASE MICROEXTRACTION DEVICES AND PREPARATION THEREOF MEMORIAL UNIVERSITY OF NEWFOUNDLAND (CA) 2024-06-06 US disclosed
EP-4294559-A1 POROUS SORPTIVE SOLID PHASE MICROEXTRACTION DEVICES AND PREPARATION THEREOF Memorial University of Newfoundland (CA) 2023-12-27 EP disclosed
WO-2023056310-A1 MOLECULARLY IMPRINTED POLYMER COATINGS AND SENSORS FOR BIODETECTION 6th Wave Innovations Corp. (US) 2023-04-06 WO disclosed
US-20230103369-A1 THE USE OF MOLECULARLY IMPRINTED POLYMERS FOR THE RAPID DETECTION OF EMERGING VIRAL OUTBREAKS ORCA HOLDINGS, LLC 2023-04-06 US disclosed
US-20230100363-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF ORCA HOLDINGS, LLC 2023-03-30 US disclosed
WO-2001077672-A2 MOLECULARLY IMPRINTED POLYMER BASED SENSORS FOR THE DETECTION OF NARCOTICS THE JOHNS HOPKINS UNIVERSITY (US) 2001-10-18 WO disclosed
WO-2001077664-A2 MOLECULARLY IMPRINTED POLYMERIC SENSOR FOR THE DETECTION OF EXPLOSIVES THE JOHNS HOPKINS UNIVERSITY (US) 2001-10-18 WO disclosed
US-5858296-A A BIOLOGICALLY ACTIVE MOLECULE FORMED BY POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A TEMPLATE MOLECULE THAT EXHIBITS DRUG ACTIVITY, REMOVAL OF TEMPLATE AND POLYMERIZATION OF SECOND CLASS OF MONOMER IN THE VOIDS LEFT BY TEMPLATE YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-01-12 US disclosed
US-5630978-A POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A BIOLOGICALLY ACTIVE TEMPLATE MOLECULE, REMOVAL OF TEMPLATE TO LEAVE A VOID, THEN POLYMERIZATION OF OTHER MONOMER(S) IN THE VOID YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1997-05-20 US disclosed
WO-1996040822-A1 PREPARATION OF BIOLOGICALLY ACTIVE MOLECULES BY MOLECULAR IMPRINTING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 1996-12-19 WO disclosed
WO-1995032736-A1 IMMOBILIZATION OF BIOLOGICALLY ACTIVE MATERIALS AND DIAGNOSTIC AGENTS IN CROSS-LINKED POLY(ORGANOPHOSPHAZENES) THE PENN STATE RESEARCH FOUNDATION (US) 1995-12-07 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 (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-20230100363-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF CNR2, CNR1, CDIPT CES1 1853/4885CES2 33/4885ALDH1A1 3487/4885
US-20220177666-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF CNR2, CNR1, CDIPT CES1 1853/4885CES2 33/4885ALDH1A1 3487/4885

“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.