SCHEMBL19702243

SCHEMBL19702243

COc1cccnc1OC1CCN(C(=O)COc2ccc(CO)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PIK3CD O00329 6/20 0.43
▸ PIK3CA P42336 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL19702459 0.92 RAB9A (0.45) POLBKDM4ETDP1PIK3CDPIK3CA
SCHEMBL19702253 0.91 DGAT2 (0.46) POLBKDM4ETDP1PIK3CDALDH1A1
SCHEMBL19702241 0.88 ALDH1A1 (0.42) POLBTDP1PIK3CDALDH1A1RAB9A
SCHEMBL19702259 0.88 CYP2C9 (0.44) POLBPIK3CDALDH1A1RAB9AGAA
SCHEMBL19702388 0.88 ALDH1A1 (0.42) POLBKDM4ETDP1PIK3CDALDH1A1
SCHEMBL19702625 0.88 PIK3CD (0.43) POLBKDM4ETDP1PIK3CDPIK3CA
SCHEMBL19702246 0.87 THRB (0.44) POLBTDP1PIK3CDALDH1A1RAB9A
SCHEMBL19702763 0.87 ALDH1A1 (0.49) POLBKDM4ETDP1ALDH1A1RAB9A
SCHEMBL19702650 0.87 ALDH1A1 (0.49) POLBKDM4ETDP1ALDH1A1RAB9A
SCHEMBL19702649 0.87 ALDH1A1 (0.49) POLBKDM4ETDP1ALDH1A1RAB9A

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 POLB 650/4885KDM4E 2352/4885TDP1 635/4885

“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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