SCHEMBL2720554

SCHEMBL2720554

C=CC(=O)OCC(C)(COC(=O)C=C)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 8/20 0.41
THRB P10828 3/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12132517 0.87 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17522074 0.85 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14048320 0.85 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17126853 0.84 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18751342 0.84 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15294460 0.83 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15294449 0.82 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13202036 0.82 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18231631 0.81 TSHR (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13143951 0.81 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-20220220262-A1 FLUORINE-CONTAINING CURABLE COMPOSITION AND ARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-14 US disclosed
US-20180072830-A1 FLUORINATED COMPOUND, CURABLE COMPOSITION AND CURED PRODUCT ASAHI GLASS COMPANY, LIMITED (JP) 2018-03-15 US disclosed
EP-2401998-A1 Dental composition, kit of parts and use thereof 3M Innovative Properties Company (US) 2012-01-04 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 (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-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT ALDH1A1 1173/4885TP53 2612/4885HIF1A 163/4885
US-20180072830-A1 FLUORINATED COMPOUND, CURABLE COMPOSITION AND CURED PRODUCT Q6ZSR9, NOC2L, FLNA ALDH1A1 936/4885TP53 2851/4885HIF1A 3260/4885

“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.