SCHEMBL21733882

SCHEMBL21733882

CCOC(=O)C1CC(C)C(c2cccc3c2CCC3)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.42
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR4 O00206 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
SCHEMBL21722418 0.81 NR1D1 (0.44) NR1D1MAPTHTTALDH1A1KMT2A
SCHEMBL26268545 0.72 KDM4E (0.38) NR1D1MAPTHTTALDH1A1KMT2A
SCHEMBL9744479 0.70 NR1D1 (0.48) NR1D1MAPTHTTALDH1A1KMT2A
SCHEMBL21733695 0.70 MAPT (0.36) MAPTHTTALDH1A1KMT2AHPGD
SCHEMBL30834510 0.70 CDC25B (0.41) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL21722251 0.70 CDC25B (0.41) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL21722204 0.70 CREBBP (0.36) MAPTHTTALDH1A1KMT2AHPGD
SCHEMBL21733883 0.69 NISCH (0.37) ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL2115724 0.68 ALDH1A1 (0.51) HTTALDH1A1KMT2AHPGDMEN1
SCHEMBL19008257 0.68 RAB9A (0.42) MAPTHTTALDH1A1KMT2AHPGD

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 5 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
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 NR1D1 924/4885MAPT 3269/4885HTT 3961/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NR1D1 924/4885MAPT 3269/4885HTT 3961/4885

“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.