SCHEMBL26452770

SCHEMBL26452770

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ S1PR5 Q9H228 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
SCHEMBL26452750 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL25675704 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL22891921 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL25677093 0.90 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL18845641 0.89 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL21484546 0.89 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL19655862 0.89 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL19655812 0.89 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL26452726 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4
SCHEMBL26452696 0.86 CPB1 (0.45) ALDH1A1MAPK1L3MBTL1CHRM2CHRM4

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 ALDH1A1 796/4885MAPK1 166/4885L3MBTL1 4201/4885

“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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