SCHEMBL22123794

SCHEMBL22123794

COC(CC(Br)C(=O)O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL22122742 0.78
SCHEMBL16877152 0.72 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1558182 0.72 CYP2D6 (0.43) TSHR
SCHEMBL22124343 0.70 ALDH1A1 (0.42) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL22124345 0.70 ALDH1A1 (0.42) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL22145606 0.70 ALDH1A1 (0.42) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL8183125 0.69 SLC6A2 (0.31)
SCHEMBL8308905 0.67 ALDH1A1 (0.61) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL28638484 0.67 ALDH1A1 (0.61) ALDH1A1TSHRLCKPPARDZDHHC20
SCHEMBL6680226 0.67 TSHR (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
EP-3898634-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
CN-113474348-A Substituted oxopyridine derivatives 拜耳公司 2021-10-01 CN disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 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-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES MVD, VASP, SELP ALDH1A1 1764/4885TSHR 4419/4885LCK 911/4885

“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.