SCHEMBL21021147

SCHEMBL21021147

CC(=O)OCC1OC(F)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TSHR P16473 1/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ CA2 P00918 13/20 0.56
▸ CA12 O43570 12/20 0.56
▸ CA1 P00915 12/20 0.56
▸ CA9 Q16790 7/20 0.56
▸ PKM P14618 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ CA4 P22748 7/20 0.49
▸ CA5A P35218 7/20 0.49
▸ CA7 P43166 7/20 0.49

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
SCHEMBL7935847 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL2215629 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8579675 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8028101 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL16731431 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL813505 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL2037245 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL17993795 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL20820941 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL7903998 1.00 CYP2D6 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479681-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-11-19 — — US disclosed
US-20190152779-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2019-05-23 — — 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-10479681-B2 Fluorinating agent AFF2, AFF4, AFF1 CYP2D6 2543/4885THRB 4415/4885HSD17B10 3618/4885
US-20190152779-A1 FLUORINATING AGENT AFF2, AFF4, AFF1 CYP2D6 2543/4885THRB 4415/4885HSD17B10 3618/4885

“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.

Send feedback