SCHEMBL22491793

SCHEMBL22491793

OCC(O)(Cc1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPA1 O75762 3/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
FDPS P14324 1/20 0.39
EPHX1 P07099 1/20 0.38
ANPEP P15144 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 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
SCHEMBL828590 1.00 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19TRPA1KDM4E
SCHEMBL3779619 0.82 TRPA1 (0.48) CYP1A2CYP2C9CYP2C19TRPA1KDM4E
SCHEMBL9464129 0.79 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19TRPA1KDM4E
SCHEMBL11557519 0.77 CSNK1E (0.46) TRPA1SIGMAR1
SCHEMBL27571377 0.76 TRPA1 (0.45) CYP1A2TRPA1KDM4ELMNAMAPK1
SCHEMBL27440222 0.76 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TRPA1LMNA
SCHEMBL27440219 0.76 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TRPA1LMNA
SCHEMBL9618402 0.76 CSNK1E (0.48) TRPA1
SCHEMBL10599737 0.76 CSNK1E (0.51) CYP1A2TRPA1KDM4ELMNAPOLB
SCHEMBL22173701 0.74 HIF1A (0.41) CYP1A2CYP2C9CYP2C19TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448204-B Vaccine against klebsiella pneumoniae 爱杜西亚药品有限公司 2024-05-14 CN disclosed
US-11891413-B2 Vaccine against Klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2024-02-06 US disclosed
US-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-16 US disclosed
EP-3717498-A1 VACCINE AGAINSTKLEBSIELLA PNEUMONIAE Vaxxilon AG (CH) 2020-10-07 EP disclosed
CN-111448204-A Vaccine against klebsiella pneumoniae 瓦希隆股份公司 2020-07-24 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 (2 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-11891413-B2 Vaccine against Klebsiella pneumoniae UBXN1, MLX, UBXN4 CYP1A2 4533/4885CYP2C9 4614/4885CYP2C19 4779/4885
US-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE UBXN1, MLX, UBXN4 CYP1A2 4533/4885CYP2C9 4614/4885CYP2C19 4779/4885

“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.