SCHEMBL30998808

SCHEMBL30998808

Cc1cc2c(c(C)nn2C2CCCCO2)c(Br)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
RET P07949 7/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATR Q13535 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
DRD1 P21728 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACVR1 Q04771 1/20 0.30
PIK3CA P42336 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
SCHEMBL26404734 0.88 GAA (0.39) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL29937275 0.88 GAA (0.39) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL24802948 0.88 GAA (0.39) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL31243076 0.85 GAA (0.37) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL29478900 0.84 GAA (0.41) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL24373243 0.84 GAA (0.41) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL29345952 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10
SCHEMBL30161900 0.80 CYP4F2 (0.41) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL2145021 0.80 CYP4F2 (0.41) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL2144571 0.80 GAA (0.48) GAACYP4F2CYP4A11RETALDH1A1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS GAA 1240/4885CYP4F2 4690/4885CYP4A11 4627/4885

“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.