SCHEMBL17119468

SCHEMBL17119468

CC(=O)OCC1O[C@@H](O)[C@@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ TSHR P16473 1/20 0.58
▸ NR3C1 P04150 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ CA2 P00918 12/20 0.57
▸ CA12 O43570 11/20 0.57
▸ CA1 P00915 11/20 0.57
▸ CA9 Q16790 6/20 0.57
▸ PKM P14618 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ CA4 P22748 7/20 0.50
▸ CA5A P35218 7/20 0.50
▸ CA7 P43166 7/20 0.50

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
SCHEMBL1582590 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL133580 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL18652541 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL13465295 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL3188307 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL18880355 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL12569416 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL133581 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL1140728 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL22766232 1.00 CYP2D6 (0.60) CYP2D6THRBHSD17B10TSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2017-08-17 — — US disclosed
US-20170175151-A1 NOVEL MATERIALS DERIVED FROM FERMENTATION-PRODUCED RHAMNOLIPIDS AND METHODS OF PRODUCTION THE UNIVERSITY OF AKRON 2017-06-22 — — US disclosed
US-9663551-B2 Solanidine-derived compounds Université de Picardie Jules Verne (FR) 2017-05-30 — — US disclosed
US-20160152659-A1 NOVEL SOLANIDINE-DERIVED COMPOUNDS SEMENCES INNOVATION PROTECTION RECHERCHE ET ENVIROMENT (FR) 2016-06-02 — — US disclosed
WO-2015143169-A1 NOVEL MATERIALS DERIVED FROM FERMENTATION-PRODUCED RHAMNOLIPIDS THE UNIVERSITY OF AKRON (US) 2015-09-24 — — 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 (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-20160152659-A1 NOVEL SOLANIDINE-DERIVED COMPOUNDS STOM, PNMT, SEPTIN9 CYP2D6 3252/4885THRB 3668/4885HSD17B10 4699/4885
US-20170175151-A1 NOVEL MATERIALS DERIVED FROM FERMENTATION-PRODUCED RHAMNOLIPIDS AND METHODS OF PRODUCTION HACL2, COASY, FASN CYP2D6 3081/4885THRB 3512/4885HSD17B10 39/4885
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION SLC11A2, RNASE1, TYMP CYP2D6 2481/4885THRB 2449/4885HSD17B10 687/4885

“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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