SCHEMBL21733778

SCHEMBL21733778

Cc1ccc2cnn(C3CCCCO3)c2c1C1CCCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ATR Q13535 3/20 0.33
RET P07949 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
EZH2 Q15910 1/20 0.30

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
SCHEMBL30834515 1.00 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21243899 0.83 GRM7 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25248904 0.81 GRM7 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21722170 0.81 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21733780 0.80 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30834498 0.80 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30834512 0.78 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21733523 0.78 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL28490766 0.77 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL29263396 0.76 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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 CYP4F2 813/4885CYP4A11 1657/4885ALDH1A1 3678/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CYP4F2 813/4885CYP4A11 1657/4885ALDH1A1 3678/4885

“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.