SCHEMBL21754428

SCHEMBL21754428

C=C[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 1/20 0.63
HKDC1 Q2TB90 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
PDE4D Q08499 5/20 0.49
TBXA2R P21731 4/20 0.47
PTGER1 P34995 3/20 0.47
PTGFR P43088 3/20 0.47
PTGER3 P43115 3/20 0.47
LMNA P02545 3/20 0.47
PTGER4 P35408 1/20 0.47
PTGDR Q13258 1/20 0.47
SLCO2A1 Q92959 1/20 0.47
PTGER2 P43116 1/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL6441915 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6441918 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11620081 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL16613944 0.86 PDE4D (0.61) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL12363806 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL16613913 0.84 PTGFR (0.59) ALDH1A1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11789450 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903403 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8901625 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8901630 0.82 ALDH1A1 (0.76) ALDH1A1KDM4EHKDC1TDP1SAE1

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-11185538-B2 Compositions for treating glaucoma or reducing intraocular pressure AERIE PHARMACEUTICALS, INC. (US) 2021-11-30 US disclosed
US-20210244722-A1 COMPOSITIONS FOR TREATING GLAUCOMA OR REDUCING INTRAOCULAR PRESSURE ALCON INC. (CH) 2021-08-12 US disclosed
US-11020385-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20200129498-A1 COMBINATION THERAPY ALCON INC. (CH) 2020-04-30 US disclosed
US-10568878-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2020-02-25 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 (5 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-11020385-B2 Combination therapy PTGS1, PTGS2, PTGIS ALDH1A1 1638/4885KDM4E 4416/4885HKDC1 3422/4885
US-11185538-B2 Compositions for treating glaucoma or reducing intraocular pressure PTGS1, PTGIS, PTGS2 ALDH1A1 2068/4885KDM4E 3724/4885HKDC1 2857/4885
US-20200129498-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ALDH1A1 1638/4885KDM4E 4416/4885HKDC1 3422/4885
US-20210244722-A1 COMPOSITIONS FOR TREATING GLAUCOMA OR REDUCING INTRAOCULAR PRESSURE PTGS1, PTGIS, PTGS2 ALDH1A1 2068/4885KDM4E 3724/4885HKDC1 2857/4885
US-10568878-B2 Combination therapy PTGS1, PTGS2, PTGIS ALDH1A1 1611/4885KDM4E 4357/4885HKDC1 3526/4885

“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.