SCHEMBL3362802

SCHEMBL3362802

C/C(=C\COc1c(O)ccc2ccc(=O)oc12)CCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.53
ALOX15 P16050 6/20 0.53
BACE1 P56817 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
ABCB1 P08183 1/20 0.48
GAA P10253 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL29929078 1.00 CYP3A4 (0.53) CYP3A4ALOX15BACE1TDP1ALDH1A1
SCHEMBL4538668 0.69 CYP3A4 (1.00) CYP3A4ALOX15BACE1TDP1ALDH1A1
SCHEMBL7083555 0.68 PTPN1 (0.51) PTGS1
SCHEMBL7083559 0.68 PTPN1 (0.51) PTGS1
Collinin SCHEMBL29365336 0.68 ALOX15 (0.72) CYP3A4ALOX15BACE1TDP1ALDH1A1
Z-Trichoclin SCHEMBL19004128 0.68 CYP3A4 (0.80) CYP3A4ALOX15BACE1TDP1ALDH1A1
SCHEMBL30599780 0.67 CA9 (1.00) CYP3A4ALOX15TDP1ALDH1A1KDM4E
SCHEMBL11434277 0.67 CA9 (1.00) CYP3A4ALOX15TDP1ALDH1A1KDM4E
Pentosalen SCHEMBL29565922 0.65 CYP3A4 (1.00) CYP3A4ALOX15BACE1TDP1ALDH1A1
Pentosalen SCHEMBL50437 0.65 CYP3A4 (1.00) CYP3A4ALOX15BACE1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US disclosed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US disclosed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO disclosed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
US-10851218-B2 Polyhipes by interfacial step-growth polymerization TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2020-12-01 US disclosed
EP-3491028-A1 POLYHIPES BY INTERFACIAL STEP-GROWTH POLYMERIZATION Technion Research & Development Foundation Limited (IL) 2019-06-05 EP disclosed
US-20190127546-A1 POLYHIPES BY INTERFACIAL STEP-GROWTH POLYMERIZATION TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2019-05-02 US disclosed
WO-2018002916-A1 HHH TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2018-01-04 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP3A4 403/4885ALOX15 4165/4885BACE1 337/4885
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB CYP3A4 3571/4885ALOX15 359/4885BACE1 465/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP3A4 1342/4885ALOX15 2694/4885BACE1 1542/4885

“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.