SCHEMBL22924919

SCHEMBL22924919

C=C/C(=C\C=C(/C)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DEGS1 O15121 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TGM2 P21980 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL16638757 0.79 CES2 (0.42) CES2CES1SMN1; SMN2ALDH1A1TSHR
SCHEMBL11206059 0.78 KDM1A (0.48) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL6900954 0.78 KDM1A (0.48) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL23458237 0.78 KDM1A (0.48) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL23458124 0.78 KDM1A (0.48) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL4450282 0.77 AKR1C3 (0.50) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL1136742 0.74 AKT1 (0.43) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL18173271 0.74 AKT1 (0.43) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL3689955 0.74 AKT1 (0.43) AKT1CES2CES1DEGS1SMN1; SMN2
SCHEMBL22924842 0.74 AKT1 (0.41) AKT1CES2CES1DEGS1ALDH1A1

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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 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 (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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 AKT1 3914/4885CES2 198/4885CES1 689/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 AKT1 3947/4885CES2 261/4885CES1 694/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 AKT1 3914/4885CES2 198/4885CES1 689/4885

“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.