SCHEMBL22787194

SCHEMBL22787194

CC(=O)c1cnc(OCCCC(=O)O)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PPARA Q07869 1/20 0.37
▸ TBXA2R P21731 5/20 0.37
▸ TBXAS1 P24557 5/20 0.37
▸ RXRA P19793 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PDE4B Q07343 1/20 0.36

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
SCHEMBL22787156 0.83 TSHR (0.44) HSD17B10TSHRL3MBTL1GAATBXAS1
SCHEMBL22787155 0.82 L3MBTL1 (0.47) TSHRL3MBTL1GAAALDH1A1
SCHEMBL22773635 0.79 MAPT (0.51) HSD17B10TSHRL3MBTL1GAAPPARA
SCHEMBL26983245 0.76 TBXA2R (0.46) TSHRPPARATBXA2RLTB4RALDH1A1
SCHEMBL445511 0.74 L3MBTL1 (0.76) HSD17B10L3MBTL1GAAPPARAALDH1A1
SCHEMBL24700024 0.73 KMT2A (0.39) GAAALDH1A1
SCHEMBL22773529 0.72 CYP4F2 (0.43) TSHRL3MBTL1GAAPPARA
SCHEMBL2186123 0.70 L3MBTL1 (0.49) L3MBTL1RXRAGRIN1GRIN2B
SCHEMBL22787166 0.70 LTB4R (0.40) HSD17B10TSHRL3MBTL1LTB4RALDH1A1
SCHEMBL2213052 0.69 L3MBTL1 (0.79) HSD17B10TSHRL3MBTL1GAAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 — — US disclosed
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 — — US disclosed
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 — — 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 (1 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-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF AADAC, ACSL3, ACSL1 HSD17B10 31/4885TSHR 4504/4885L3MBTL1 4500/4885

“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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