SCHEMBL17005589

SCHEMBL17005589

CC(=O)CCC(=O)O[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CA2 P00918 8/20 0.55
▸ TSHR P16473 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CA12 O43570 7/20 0.48
▸ CA1 P00915 6/20 0.48
▸ CA9 Q16790 5/20 0.48
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA5A P35218 2/20 0.46

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
SCHEMBL17005596 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL17005588 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL17005594 0.92 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL16136863 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL22330671 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL23266161 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL7152247 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL21945978 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL133205 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL10109449 0.89 CYP2D6 (0.73) CYP2D6THRBHSD17B10CA2TSHR

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-20210228725-A1 DRUG DELIVERY OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-07-29 — — US disclosed
US-10016518-B2 Inflammation imaging and therapy OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-07-10 — — US disclosed
US-20150231281-A1 INFLAMMATION IMAGING AND THERAPY OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-08-20 — — 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 (3 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-20210228725-A1 DRUG DELIVERY VAPB, CHMP4B, VAPA CYP2D6 2742/4885THRB 1348/4885HSD17B10 1170/4885
US-20150231281-A1 INFLAMMATION IMAGING AND THERAPY LGALS1, SSB, SIGLEC7 CYP2D6 4709/4885THRB 1262/4885HSD17B10 3444/4885
US-10016518-B2 Inflammation imaging and therapy LGALS1, SSB, SIGLEC7 CYP2D6 4709/4885THRB 1262/4885HSD17B10 3444/4885

“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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