SCHEMBL19702393

SCHEMBL19702393

CC(C)c1ncccc1OC1CCN(C(=O)COc2ccc(CO)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM5A P29375 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ FKBP1A P62942 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL19702623 0.92 GAA (0.45) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702397 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702459 0.86 RAB9A (0.45) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702398 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702460 0.86 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702389 0.86 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702254 0.86 KDM5A (0.41) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702388 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702456 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTGAARAB9A
SCHEMBL19702243 0.85 POLB (0.43) ALDH1A1SMN1; SMN2MAPTGAARAB9A

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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME GDD THERAPEUTICS, LLC (US) 2020-10-01 — — US disclosed
WO-2017214201-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2017-12-14 — — 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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME SLC7A1, ABCG2, SLC46A1 ALDH1A1 931/4885SMN1; SMN2 2628/4885MAPT 2779/4885

“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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