SCHEMBL29508671

SCHEMBL29508671

CC1(C)CCC(=O)C(C(=O)c2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPD P32754 1/20 0.42
CTSD P07339 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL732545 1.00 ALDH1A1 (0.42) ALDH1A1HPDCTSDMEN1KMT2A
SCHEMBL9240067 0.83 HPD (0.46) ALDH1A1HPDMEN1KMT2A
SCHEMBL909773 0.81 HPD (0.45) ALDH1A1HPDMEN1KMT2ALMNA
SCHEMBL29564164 0.80 ALDH1A1 (0.45) ALDH1A1HPDCTSDMEN1KMT2A
SCHEMBL7275143 0.80 ALDH1A1 (0.45) ALDH1A1HPDCTSDMEN1KMT2A
SCHEMBL7275303 0.79 HPD (0.61) ALDH1A1HPDMEN1KMT2ATDP1
SCHEMBL9300076 0.79 HPD (0.45) ALDH1A1HPDMEN1KMT2ALMNA
SCHEMBL9711483 0.75 ALDH1A1 (0.40) ALDH1A1HPDCTSDLMNA
SCHEMBL18618230 0.75 ALDH1A1 (0.45) ALDH1A1CTSDLMNA
SCHEMBL9711486 0.74 ALDH1A1 (0.44) ALDH1A1HPDCTSDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4378314-B1 HERBICIDAL COMPOSITIONS BAYER AG (DE) 2025-12-24 EP disclosed
US-12433293-B2 Herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 2025-10-07 US disclosed
US-12171230-B2 Herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 2024-12-24 US disclosed
EP-3993626-B1 HERBICIDAL COMPOSITIONS BAYER AG (DE) 2024-11-06 EP disclosed
EP-4378314-A2 HERBICIDAL COMPOSITIONS Bayer AG (DE) 2024-06-05 EP disclosed
CN-114340393-B Herbicidal composition 拜耳公司 2024-05-24 CN disclosed
CN-113329630-B Herbicidal composition 拜耳公司 2024-04-26 CN disclosed
CN-113347882-B Herbicidal composition 拜耳公司 2023-12-19 CN disclosed
US-20230032505-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-02 US disclosed
EP-3890489-B1 HERBICIDAL COMBINATIONS BAYER AG (DE) 2023-01-04 EP disclosed
EP-3890488-B1 HERBICIDAL COMBINATIONS BAYER AG (DE) 2023-01-04 EP disclosed
US-20220386605-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 US disclosed
EP-3993626-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2022-05-11 EP disclosed
CN-114340393-A Herbicidal composition 拜耳公司 2022-04-12 CN 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 (4 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-12433293-B2 Herbicidal compositions DDT, GUSB, HDHD5 ALDH1A1 93/4885HPD 27/4885CTSD 3206/4885
US-20230032505-A1 HERBICIDAL COMPOSITIONS DDT, GUSB, HDHD5 ALDH1A1 115/4885HPD 16/4885CTSD 2828/4885
US-12171230-B2 Herbicidal compositions DDT, GUSB, HDHD5 ALDH1A1 115/4885HPD 16/4885CTSD 2828/4885
US-20220386605-A1 HERBICIDAL COMPOSITIONS DDT, GUSB, HDHD5 ALDH1A1 93/4885HPD 27/4885CTSD 3206/4885

“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.