SCHEMBL21828451

SCHEMBL21828451

Cc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(=O)N(CC(N)OC(=O)C(F)(F)F)C2=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 12/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ AR P10275 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CASP3 P42574 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL21828450 0.75 LCK (0.36) GNRHRPOLBCASP3
SCHEMBL18919411 0.68 HEXA (0.44) MAPT
SCHEMBL18919446 0.67 SMN1; SMN2 (0.47) POLBALDH1A1CASP3
SCHEMBL30753531 0.67 SMN1; SMN2 (0.47) POLBALDH1A1CASP3
SCHEMBL18919421 0.66 GAA (0.41) POLBARCASP3
SCHEMBL15571328 0.65 ALDH1A1 (0.43) MAPTALDH1A1
SCHEMBL16685122 0.65 ALDH1A1 (0.47) MAPTPOLBALDH1A1
SCHEMBL18942729 0.64 AKT1 (0.49) —
SCHEMBL21909057 0.64 HEXA (0.47) —
SCHEMBL21909067 0.63 CDK8 (0.36) MAPTALDH1A1CASP3

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
EP-3383846-B1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS OTAGO INNOVATION LTD (NZ) 2022-06-22 — — EP disclosed
US-11072584-B2 Carbon monoxide releasing norbornenone compounds OTAGO INNOVATION LIMITED (NZ) 2021-07-27 — — US disclosed
US-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2020-04-09 — — 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-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS HMOX1, MB, NOS2 GNRHR 3788/4885MAPT 4693/4885POLB 4692/4885
US-11072584-B2 Carbon monoxide releasing norbornenone compounds HMOX1, MB, NOS2 GNRHR 3788/4885MAPT 4693/4885POLB 4692/4885

“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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