SCHEMBL4112689

SCHEMBL4112689

CCCCC(OC1CCCCO1)C(F)(F)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ PTGDR2 Q9Y5Y4 3/20 0.57
▸ SLCO2A1 Q92959 2/20 0.57
▸ PTGER4 P35408 3/20 0.43
▸ PTGFR P43088 3/20 0.43
▸ TBXA2R P21731 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ PTGER2 P43116 2/20 0.43
▸ PTGIR P43119 2/20 0.43
▸ PTGER1 P34995 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ PTGDR Q13258 1/20 0.40

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
SCHEMBL4112690 1.00 ALDH1A1 (0.57) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4189573 0.93 PTGDR2 (0.47) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4189578 0.93 PTGDR2 (0.47) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4189569 0.93 PTGDR2 (0.47) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4189577 0.93 PTGDR2 (0.47) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4192876 0.92 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4192872 0.92 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4111899 0.88 PTGER4 (0.57) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL4111896 0.88 PTGER4 (0.57) ALDH1A1PTGDR2SLCO2A1PTGER4PTGFR
SCHEMBL3992485 0.85 PTGFR (0.55) ALDH1A1SLCO2A1PTGER4PTGFRTBXA2R

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 4 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
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
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 ALDH1A1 594/4885PTGDR2 11/4885SLCO2A1 4636/4885

“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.

Send feedback