SCHEMBL20835869

SCHEMBL20835869

CC(C)(C)c1cc(C=NC(C)(C)C(C)(C)N=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.52
▸ PTGS2 P35354 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ ALOX12 P18054 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ HIF1A Q16665 5/20 0.39
▸ POLB P06746 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL13470911 1.00 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30364885 0.98 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14865093 0.93 ALOX5 (0.50) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28521923 0.91 ALOX5 (0.48) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17511101 0.90 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17511100 0.90 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28954144 0.88 ALOX5 (0.47) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17079002 0.85 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2775430 0.84 HTT (0.58) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19320482 0.84 ALOX5 (0.53) ALOX5PTGS2SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 — — US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 — — US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 — — EP 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR ALOX5 2554/4885PTGS2 933/4885SMN1; SMN2 3488/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR ALOX5 2554/4885PTGS2 933/4885SMN1; SMN2 3488/4885

“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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