SCHEMBL20645845

SCHEMBL20645845

CCCC1=NOC(C(=O)OC)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.48
▸ HTT P42858 2/20 0.45
▸ F10 P00742 2/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 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
SCHEMBL8494420 0.89 F10 (0.46) MIFHTTF10NPC1RAB9A
SCHEMBL20645838 0.87 MIF (0.50) MIFHTTCA1CA2NPC1
SCHEMBL12461336 0.86 CYP4F2 (0.36) MIFHTTF10CA1CA2
SCHEMBL10757347 0.84 MIF (0.46) MIFHTT
SCHEMBL27526456 0.80 HTT (0.48) MIFHTTCA1CA2NPC1
SCHEMBL4664839 0.80 F10 (0.40) HTTF10CA1CA2NPC1
SCHEMBL10758499 0.80 MIF (0.42) MIFHTTCYP1A2CYP2C19CYP2D6
SCHEMBL20640544 0.79 MIF (0.50) MIFHTTCA1CA2NPC1
SCHEMBL20640879 0.77 MIF (0.40) MIFHTTF10CYP1A2CYP2C19
SCHEMBL8444142 0.74 MIF (0.58) MIFHTTCYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 — — EP disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 — — EP disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 — — US disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 — — US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 — — US disclosed
US-10975095-B2 — — 2021-04-13 — — US disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 — — US disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 — — WO 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 (4 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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885F10 1951/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885F10 1951/4885
US-10975095-B2 — CYP1B1, UGT1A1, CYP4B1 MIF 3173/4885HTT 2124/4885F10 1169/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885F10 1951/4885

“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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