SCHEMBL23998484

SCHEMBL23998484

CC1CC(c2ccc3c(c2)[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2-3)C1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 19/20 0.80
AKR1B1 P15121 19/20 0.80

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
SCHEMBL20845836 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845831 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845835 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845829 0.88 AKR1A1 (0.72) AKR1A1AKR1B1
SCHEMBL25893331 0.88 AKR1A1 (0.72) AKR1A1AKR1B1
SCHEMBL21095589 0.88 AKR1A1 (0.72) AKR1A1AKR1B1
SCHEMBL20845817 0.86 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL20845818 0.86 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL23998619 0.86 AKR1A1 (0.79) AKR1A1AKR1B1
SCHEMBL20845822 0.86 AKR1A1 (1.00) AKR1A1AKR1B1

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-11518748-B2 Aldoketo reductase inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2022-12-06 US disclosed
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-11-11 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-11518748-B2 Aldoketo reductase inhibitors and uses thereof AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885
US-20210347744-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1A1 2/4885AKR1B1 1/4885

“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.