SCHEMBL2019340

SCHEMBL2019340

C=CCC(=O)C(=O)CC=C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CPA1 P15085 1/20 0.31
▸ BBOX1 O75936 1/20 0.30

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
SCHEMBL562764 0.83 — —
SCHEMBL6838931 0.83 — —
SCHEMBL9035118 0.81 — —
SCHEMBL1373287 0.81 — —
SCHEMBL27819 0.81 — —
SCHEMBL1569310 0.81 — —
Water SCHEMBL6078515 0.81 — —
SCHEMBL8163098 0.81 — —
SCHEMBL3630568 0.81 — —
SCHEMBL4409976 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214283-B Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2022-09-30 — — CN disclosed
CN-113214283-A Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2021-08-06 — — CN disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 — — EP disclosed
US-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 — — US disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 — — US disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 — — US disclosed
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 — — US disclosed
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 — — US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 — — US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 — — US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 — — 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 (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-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 TSHR 226/4885LMNA 2000/4885ALDH1A1 2824/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 TSHR 592/4885LMNA 3117/4885ALDH1A1 940/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885LMNA 1449/4885ALDH1A1 371/4885

“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.

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