SCHEMBL30998665

SCHEMBL30998665

COCC12CCC(CN(Cc3ccccc3)C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
STS P08842 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL29936728 0.92 KMT2A (0.43) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL29344022 0.91 KMT2A (0.43) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL29936722 0.87 JAK1 (0.41) KMT2AL3MBTL1JAK2JAK1KDM1A
SCHEMBL29937484 0.84 KMT2A (0.42) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL29344020 0.84 KMT2A (0.42) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL29344024 0.83 KMT2A (0.41) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL31323322 0.83 KMT2A (0.41) KMT2AL3MBTL1CYP2D6ALDH1A1TP53
SCHEMBL30520568 0.83 HTT (0.44) KMT2AJAK2JAK1
SCHEMBL25209900 0.82 KDM1A (0.36) KMT2AL3MBTL1GPR119KDM4EPKM
SCHEMBL29937230 0.82 KMT2A (0.40) KMT2AL3MBTL1CYP2D6ALDH1A1TP53

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 KMT2A 1154/4885L3MBTL1 3599/4885CYP2D6 2875/4885

“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.