SCHEMBL20132789

SCHEMBL20132789

CCOC(=O)[C@H](O)[C@H](CCCOCc1ccccc1)C(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
HPRT1 P00492 1/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
MMP8 P22894 2/20 0.40
NPC1 O15118 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MMP9 P14780 1/20 0.37
LTA4H P09960 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL20132829 0.93 HPRT1 (0.42) TDP1HPRT1L3MBTL1LMNAMMP8
SCHEMBL20132791 0.93 HPRT1 (0.42) TDP1HPRT1L3MBTL1LMNAMMP8
SCHEMBL16774770 0.80 NPC1 (0.44) TSHRNPC1SMN1; SMN2LTA4H
SCHEMBL16774864 0.80 NPC1 (0.44) TSHRNPC1SMN1; SMN2LTA4H
SCHEMBL5321935 0.79 TDP1 (0.67) TDP1MMP1MMP3L3MBTL1TSHR
SCHEMBL20128498 0.79 NPC1 (0.43) NPC1SMN1; SMN2LTA4H
SCHEMBL20128492 0.79 NPC1 (0.43) NPC1SMN1; SMN2LTA4H
SCHEMBL7429704 0.78 TDP1 (0.61) TDP1MMP1MMP3L3MBTL1TSHR
SCHEMBL27707724 0.77 L3MBTL1 (0.52) TDP1L3MBTL1TSHRLMNAMMP8
SCHEMBL5857539 0.76 TDP1 (0.61) TDP1MMP1MMP3L3MBTL1TSHR

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-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 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 (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-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX TDP1 2369/4885HPRT1 2055/4885MMP1 1396/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX TDP1 2369/4885HPRT1 2055/4885MMP1 1396/4885

“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.