SCHEMBL18656591

SCHEMBL18656591

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLCO2A1 Q92959 3/20 0.70
PTGFR P43088 6/20 0.60
ALDH1A1 P00352 4/20 0.60
TBXA2R P21731 3/20 0.60
LMNA P02545 3/20 0.60
PTGER3 P43115 3/20 0.60
PTGER1 P34995 2/20 0.60
PTGER2 P43116 1/20 0.60
PTGER4 P35408 1/20 0.60
PTGDR Q13258 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ABCB11 O95342 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 2/20 0.52
ABCC4 O15439 1/20 0.52
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL3364894 0.93 PTGFR (0.71) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL11846521 0.93 PTGFR (0.71) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL1747671 0.93 PTGFR (0.71) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL13061506 0.92 PTGFR (0.73) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL14370090 0.87 SLCO2A1 (0.53) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL15095503 0.84 SLCO2A1 (0.64) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL8901815 0.84 TBXA2R (0.60) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL8901811 0.84 TBXA2R (0.60) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL11373483 0.83 ALDH1A1 (0.58) SLCO2A1PTGFRALDH1A1TBXA2RLMNA
SCHEMBL19556617 0.83 PTGFR (0.60) SLCO2A1PTGFRALDH1A1TBXA2RLMNA

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-9808531-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2017-11-07 US disclosed
US-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders Graybug Vision, Inc. (US) 2017-03-23 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 (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-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders PTGIR, PTGIS, CA2 SLCO2A1 1556/4885PTGFR 24/4885ALDH1A1 1010/4885

“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.