SCHEMBL23974122

SCHEMBL23974122

C=CC(=O)OCC1CC2CC(C#N)C1C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 5/20 0.32
HSD17B10 Q99714 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
SCHEMBL23974113 0.83 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18720635 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL23963257 0.75 TSHR (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24994362 0.75 CYP2C9 (0.30)
SCHEMBL302943 0.75
SCHEMBL23974114 0.74 TSHR (0.32) ALDH1A1TP53HIF1ACYP3A4TSHR
SCHEMBL20691730 0.74
SCHEMBL24994360 0.74 HMGCR (0.37)
SCHEMBL21599229 0.72 ALDH1A1 (0.32) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19134570 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210341839-A1 FLUOROCARBOXYLIC ACID-CONTAINING MONOMER, FLUOROCARBOXYLIC ACID-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-04 US disclosed
CN-1976962-A Resist polymer, process for production thereof, resist composition, and process for production of substrates with patterns thereon MITSUBISHI RAYON CO (JP) 2007-06-06 CN 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-20210341839-A1 FLUOROCARBOXYLIC ACID-CONTAINING MONOMER, FLUOROCARBOXYLIC ACID-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS NAF1, PFN1, COL1A1 ALDH1A1 640/4885TP53 1986/4885HIF1A 142/4885

“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.