SCHEMBL26452696

SCHEMBL26452696

CCC1CN(CC(=O)OCc2ccccc2)CC1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ FKBP1A P62942 1/20 0.39

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
SCHEMBL18845641 0.89 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL19655812 0.89 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL21484546 0.89 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL19655862 0.89 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL26452726 0.88 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL26452770 0.86 ALDH1A1 (0.40) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL26452668 0.85 ALDH1A1 (0.38) CYP2C9CYP2C19ALDH1A1CYP1A2CHRM2
SCHEMBL26452466 0.85 CHRM5 (0.36) CPB1CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL26452546 0.85 CHRM5 (0.36) CPB1CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL26452643 0.85 CHRM5 (0.36) CPB1CYP2C9CYP2C19ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN, S.A.U. (ES) 2023-05-04 — — US 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-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CDK19, CDK11B, CDK9 CPB1 1890/4885CYP2C9 82/4885CYP2C19 63/4885

“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.

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