SCHEMBL21733901

SCHEMBL21733901

COc1cc(C2CCCC(=O)C2)c2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IKBKB O14920 1/20 0.40
TP53 P04637 1/20 0.40
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CDC25B P30305 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MTNR1A P48039 1/20 0.37
GAA P10253 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL30834552 1.00 PDE10A (0.42) PDE10AALDH1A1MAPTNPSR1IKBKB
SCHEMBL28920142 0.87 PDE10A (0.39) PDE10AALDH1A1MAPTNPSR1IKBKB
SCHEMBL26268797 0.83 IKBKB (0.42) PDE10AALDH1A1MAPTNPSR1IKBKB
SCHEMBL21733559 0.83 CA12 (0.36) PDE10AALDH1A1MAPTNPSR1IKBKB
SCHEMBL21734091 0.79 CASP3 (0.38) PDE10AALDH1A1MAPTNPSR1TP53
SCHEMBL30834557 0.79 CASP3 (0.38) PDE10AALDH1A1MAPTNPSR1TP53
SCHEMBL17996703 0.78 MTNR1A (0.53) ALDH1A1MAPTNPSR1IKBKBTP53
SCHEMBL21722167 0.75 GAA (0.43) ALDH1A1MAPTNPSR1TP53HCRTR1
SCHEMBL824116 0.75 HTR2C (0.53) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL34463201 0.75 HTR2C (0.53) HCRTR1HCRTR2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS PDE10A 3748/4885ALDH1A1 3678/4885MAPT 3269/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PDE10A 3748/4885ALDH1A1 3678/4885MAPT 3269/4885

“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.