SCHEMBL4192876

SCHEMBL4192876

C=C1C[C@H](O)[C@H](CC=CCCCC(=O)O)[C@H]1C=CC(F)(F)C(CCCC)OC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ PTGDR2 Q9Y5Y4 3/20 0.46
▸ SLCO2A1 Q92959 2/20 0.46
▸ PTGFR P43088 3/20 0.40
▸ TBXA2R P21731 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PTGER4 P35408 3/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PTGER2 P43116 2/20 0.38
▸ PTGIR P43119 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL4192872 1.00 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1PTGFRTBXA2R
SCHEMBL3984970 0.93 ALDH1A1 (0.42) ALDH1A1PTGDR2SLCO2A1LMNAPTGER4
SCHEMBL3984977 0.93 ALDH1A1 (0.42) ALDH1A1PTGDR2SLCO2A1LMNAPTGER4
SCHEMBL4203760 0.93 ALDH1A1 (0.42) ALDH1A1PTGDR2SLCO2A1LMNAPTGER4
SCHEMBL3984972 0.93 ALDH1A1 (0.42) ALDH1A1PTGDR2SLCO2A1LMNAPTGER4
SCHEMBL4112689 0.92 ALDH1A1 (0.57) ALDH1A1PTGDR2SLCO2A1PTGFRTBXA2R
SCHEMBL4112690 0.92 ALDH1A1 (0.57) ALDH1A1PTGDR2SLCO2A1PTGFRTBXA2R
SCHEMBL3992485 0.85 PTGFR (0.55) ALDH1A1SLCO2A1PTGFRTBXA2RLMNA
SCHEMBL3992489 0.85 PTGFR (0.55) ALDH1A1SLCO2A1PTGFRTBXA2RLMNA
SCHEMBL4189569 0.85 PTGDR2 (0.47) ALDH1A1PTGDR2SLCO2A1PTGFRTBXA2R

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 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