SCHEMBL145087

SCHEMBL145087

C/C=C(/[C]=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.40
CES2 O00748 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 3/20 0.39
AKT1 P31749 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 2/20 0.37
CYP3A4 P08684 2/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL262667 1.00 CES1 (0.40) CES1CES2ALDH1A1TSHRDAO
SCHEMBL262668 1.00 CES1 (0.40) CES1CES2ALDH1A1TSHRDAO
SCHEMBL27935362 0.84 CES1 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL11474267 0.81 TDP1 (0.42) CES1CES2ALDH1A1TSHRDAO
SCHEMBL7607185 0.79 CES1 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL146889 0.79 CES1 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL836984 0.79 RECQL (0.44) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL946073 0.79 CES1 (0.39) CES1CES2ALDH1A1TSHRDAO
SCHEMBL836983 0.79 RECQL (0.44) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL2119746 0.77 AKR1C1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411004-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS National University of Singapore (SG) 2012-02-01 EP claimed
US-20120015923-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-01-19 US claimed
WO-2010110748-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-09-30 WO claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-20230348674-A1 HYDROGELS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-11-02 US disclosed
WO-2023190111-A1 RAFT POLYMERIZATION REACTION SOLUTION AND RAFT POLYMERIZATION REACTION SOLUTION PRODUCTION METHOD テクノUMG株式会社 2023-10-05 WO disclosed
CN-116615468-A Polymer particles 昆士兰科技大学 2023-08-18 CN disclosed
US-5155101-A Tricyclic compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
EP-0498069-A2 New use of peptide derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP disclosed
WO-1992012154-A1 IMIDAZOTRIAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-23 WO disclosed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO disclosed
WO-1992002513-A1 HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US disclosed
EP-0360079-A1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP 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 (4 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-20120015923-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NFKBIA, CCL11, IL5 CES1 3332/4885CES2 3797/4885ALDH1A1 2202/4885
US-11834663-B2 Fibrotic treatment MMP1, ENPEP, RNPEP CES1 436/4885CES2 957/4885ALDH1A1 1883/4885
US-20230348674-A1 HYDROGELS PHYKPL, TST, PHOSPHO1 CES1 3932/4885CES2 2684/4885ALDH1A1 3340/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP CES1 436/4885CES2 957/4885ALDH1A1 1883/4885

“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.