SCHEMBL23409359

SCHEMBL23409359

COC(=O)C1CCC(c2cccc3cccc(Br)c23)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.34
MTNR1A P48039 9/20 0.33
MTNR1B P49286 9/20 0.33
TYK2 P29597 1/20 0.32
TSHR P16473 1/20 0.32
XIAP P98170 1/20 0.32
BRD4 O60885 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL29903199 1.00 PDE5A (0.34) PDE5AMTNR1AMTNR1BTYK2TSHR
SCHEMBL24732163 0.81 MTNR1A (0.44) MTNR1AMTNR1BPDK2PDK4
SCHEMBL29903185 0.78 BRD4 (0.35) MTNR1ABRD4PDK2PDK4
SCHEMBL13920729 0.77 TP53 (0.43)
SCHEMBL5896773 0.76 HDAC4 (0.40) TSHR
SCHEMBL3241787 0.76 TP53 (0.44) TSHR
SCHEMBL3235237 0.72 KMT2A (0.47)
SCHEMBL24536430 0.72 MEN1 (0.44) TSHRBRD4PDK2PDK4
SCHEMBL3241986 0.69 TP53 (0.43)
SCHEMBL23044821 0.69 PKM (0.47) MTNR1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 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 (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-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS PDE5A 3988/4885MTNR1A 4481/4885MTNR1B 4232/4885

“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.