SCHEMBL19558558

SCHEMBL19558558

CCOC(=O)C1(C(=O)OCC)C[C@@H]1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 2/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL18358211 1.00 POLB (0.34) POLBALDH1A1OPRM1OPRD1OPRK1
SCHEMBL18358208 1.00 POLB (0.34) POLBALDH1A1OPRM1OPRD1OPRK1
SCHEMBL20467778 0.92 MAPK1 (0.33) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL20107144 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL18358200 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL18358221 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL18358230 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL19558559 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL18358210 0.91 OPRM1 (0.34) POLBOPRM1OPRD1OPRK1MAPK1
SCHEMBL20107357 0.90 POLB (0.31) POLBOPRM1OPRD1OPRK1MAPK1

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-10793540-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2020-10-06 US disclosed
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2019-10-22 US disclosed
US-10316338-B1 Enzymatic process for the preparation of (1S,2R)-2-(difluoromethyl)-1-(propoxycarbonyl)cyclopropanecarboxylic acid ABB VIE INC. (US) 2019-06-11 US disclosed
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound CENTRAL GLASS COMPANY, LIMITED (JP) 2018-07-05 US disclosed
US-9809534-B1 Difluoroalkylcyclopropyl amino acids and esters, and syntheses thereof ABBVIE INC. (US) 2017-11-07 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-10793540-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, CYP2F1 POLB 1943/4885ALDH1A1 996/4885OPRM1 2386/4885
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound PFAS, FDPS, FIBP POLB 2121/4885ALDH1A1 1093/4885OPRM1 2554/4885
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, FIBP POLB 2121/4885ALDH1A1 1093/4885OPRM1 2554/4885

“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.