SCHEMBL4111899

SCHEMBL4111899

CCCCC(OC1CCCCO1)C(F)(F)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.57
▸ PTGER2 P43116 3/20 0.57
▸ PTGIR P43119 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ PTGFR P43088 2/20 0.57
▸ PTGER3 P43115 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ PTGER1 P34995 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SLCO2A1 Q92959 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL4111896 1.00 PTGER4 (0.57) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL4112689 0.88 ALDH1A1 (0.57) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL4112690 0.88 ALDH1A1 (0.57) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL13845738 0.88 PTGIR (0.42) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL3992485 0.85 PTGFR (0.55) PTGER4TSHRPTGFRPTGER3HPGD
SCHEMBL3992489 0.85 PTGFR (0.55) PTGER4TSHRPTGFRPTGER3HPGD
SCHEMBL4100854 0.83 MAPT (0.41) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL4100856 0.83 MAPT (0.41) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL4192872 0.83 ALDH1A1 (0.46) PTGER4PTGER2PTGIRTSHRPTGFR
SCHEMBL4192876 0.83 ALDH1A1 (0.46) PTGER4PTGER2PTGIRTSHRPTGFR

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
WO-2009065081-A2 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-22 — — WO disclosed
US-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-14 — — 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-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS PTGER1, PTGER4, PTGER2 PTGER4 2/4885PTGER2 3/4885PTGIR 4/4885

“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.

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