SCHEMBL20107144

SCHEMBL20107144

CCOC(=O)[C@@]1(C(=O)O)CC1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL19558559 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1MAPK1SMN1; SMN2
SCHEMBL18358200 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1MAPK1SMN1; SMN2
SCHEMBL18358221 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1MAPK1SMN1; SMN2
SCHEMBL18358210 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1MAPK1SMN1; SMN2
SCHEMBL18358230 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1MAPK1SMN1; SMN2
SCHEMBL18358211 0.91 POLB (0.34) OPRM1OPRD1OPRK1MAPK1GAA
SCHEMBL19558558 0.91 POLB (0.34) OPRM1OPRD1OPRK1MAPK1GAA
SCHEMBL18358208 0.91 POLB (0.34) OPRM1OPRD1OPRK1MAPK1GAA
SCHEMBL21048292 0.87 PPM1B (0.32) LMNA
SCHEMBL20456365 0.87 L3MBTL1 (0.49) OPRK1GAAPOLBKDM4EMAPT

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-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. 2021-03-25 US disclosed
EP-3315497-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING CYCLOPROPANE CARBOXYLIC ACID COMPOUND Central Glass Co., Ltd. (JP) 2018-05-02 EP 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 (1 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-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID CTRL, DNPEP, CPN1 OPRM1 3055/4885OPRD1 3449/4885OPRK1 3499/4885

“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.