SCHEMBL22145306

SCHEMBL22145306

OCC(O)Cc1ccc(Cl)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.40
CYP3A4 P08684 3/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.36
IDO1 P14902 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HSPD1 P10809 1/20 0.33
HSPA5 P11021 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL22124332 0.84 PYCR1 (0.42) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL22162895 0.84 PYCR1 (0.42) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL22122730 0.84 PYCR1 (0.42) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL247092 0.81 IDO1 (0.48) CYP3A4IDO1MEN1HTTKMT2A
SCHEMBL10325517 0.81 IDO1 (0.48) CYP3A4IDO1MEN1HTTKMT2A
SCHEMBL247767 0.81 IDO1 (0.48) CYP3A4IDO1MEN1HTTKMT2A
SCHEMBL30485975 0.80 PYCR1 (0.44) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL22145313 0.80 PYCR1 (0.44) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL22122785 0.80 PYCR1 (0.44) PYCR1CYP3A4PPARAPPARGIDO1
SCHEMBL22122732 0.79 ALOX15 (0.46) PYCR1CYP3A4PPARAPPARGIDO1

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 2 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
WO-2020127508-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 PYCR1 478/4885CYP3A4 95/4885PPARA 866/4885

“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.