SCHEMBL26232334

SCHEMBL26232334

O=C1CC(c2cccc(F)c2)(c2cccc(C3CC3)c2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.39
▸ AKR1A1 P14550 2/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SLC6A9 P48067 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL26232349 0.76 AKR1B1 (0.58) AKR1B1AKR1A1KDM1AADAMTS5SLC6A9
SCHEMBL21844215 0.74 AKR1B1 (0.62) AKR1B1AKR1A1
SCHEMBL29878889 0.71 HTR2C (0.47) KDM1AALDH1A1
SCHEMBL1515236 0.71 HTR2C (0.47) KDM1AALDH1A1
SCHEMBL10970570 0.68 BACE1 (0.43) AKR1B1OPRM1ALDH1A1POLBMAPT
SCHEMBL21844225 0.67 AKR1B1 (0.57) AKR1B1AKR1A1
SCHEMBL730107 0.66 ESR2 (0.47) KDM4E
SCHEMBL27794457 0.66 HCRTR2 (0.44) —
Formamide SCHEMBL28182476 0.66 PARP10 (0.44) KDM1A
SCHEMBL777204 0.64 HDAC4 (0.52) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF UNIV CASE WESTERN RESERVE (US) 2023-07-13 — — 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 (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-20230219905-A1 ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF AKR1B1, AKR1A1, AKR1C2 AKR1B1 1/4885AKR1A1 2/4885KDM1A 1428/4885

“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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