SCHEMBL18944632

SCHEMBL18944632

CC/C=C\C/C=C\C/C=C\C/C=C\CCSC(C)(C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
NR1I2 O75469 2/20 0.49
PTGS2 P35354 2/20 0.49
PGR P06401 1/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 4/20 0.43
CYP19A1 P11511 4/20 0.41
PPARG P37231 3/20 0.41
OXER1 Q8TDS5 3/20 0.41
MAPT P10636 3/20 0.41
RXRA P19793 2/20 0.41
FFAR1 O14842 2/20 0.41
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39

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
SCHEMBL1552085 0.90 ALDH1A1 (0.54) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL16186905 0.90 ALDH1A1 (0.54) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL1552086 0.90 ALDH1A1 (0.54) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL18920280 0.81 PTGS1 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL18920278 0.81 PTGS1 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL2879705 0.76 ADORA3 (0.53) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL17307880 0.75 ADORA3 (0.59) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL4293341 0.75 CYP4F2 (0.39) ALDH1A1CYP3A4ALOX15HSD17B10TSHR
SCHEMBL18944633 0.74 PTGS1 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3683212 0.73 ADORA3 (0.57) ADORA3NR1I2PTGS2PGRPDE4D

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
EP-3383380-B1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE BIOZEP AS (NO) 2023-01-04 EP disclosed
US-20190284129-A1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE BIOZEP AS (NO) 2019-09-19 US disclosed
WO-2017093732-A1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE BIOZEP AS (NO) 2017-06-08 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 (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-20190284129-A1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE APOB, ALOX12, NR1H2 ADORA3 2246/4885NR1I2 135/4885PTGS2 313/4885

“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.