SCHEMBL22975387

SCHEMBL22975387

O=C(O)C1C/C=C\CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 3/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 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
SCHEMBL23113665 1.00 ABAT (0.39) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL3598433 0.98 CES2 (0.41) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL28247066 0.98 CES2 (0.41) ABATALDH1A1KDM4ETSHRSLC6A1
Benzene SCHEMBL30877908 0.96 ALDH1A1 (0.40) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL4617510 0.93 ABAT (0.41) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL28247064 0.86 TSHR (0.41) ABATALDH1A1TSHRSLC6A1SLC6A11
SCHEMBL16731942 0.84 TSHR (0.39) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL28247755 0.84 TSHR (0.39) ABATALDH1A1KDM4ETSHRSLC6A1
SCHEMBL91180 0.84
SCHEMBL468428 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793514-B1 FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2022-04-20 EP claimed
US-20230341777-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION CONTAINING TERMINAL-BLOCKED REACTION PRODUCT NISSAN CHEMICAL CORPORATION (JP) 2023-10-26 US disclosed
US-20230296984-A1 EUV RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-09-21 US disclosed
US-20230259028-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION CONTAINING REACTION PRODUCT OF HYDANTOIN COMPOUNDS NISSAN CHEMICAL CORPORATION (JP) 2023-08-17 US disclosed
US-11426339-B2 Organic compounds GIVAUDAN SA (CH) 2022-08-30 US disclosed
EP-3793514-B1 FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2022-04-20 EP disclosed
EP-3793514-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2021-03-24 EP disclosed
US-20210045985-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2021-02-18 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 (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-11426339-B2 Organic compounds OR51E2, OR10J3, ELOC ABAT 794/4885ALDH1A1 85/4885KDM4E 459/4885
US-20210045985-A1 ORGANIC COMPOUNDS OR51E2, OR10J3, ELOC ABAT 794/4885ALDH1A1 85/4885KDM4E 459/4885

“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.