SCHEMBL4203760

SCHEMBL4203760

C=C1C[C@H](O)[C@H](C/C=C/CCCC(=O)OC)[C@H]1/C=C/C(F)(F)C(CCCC)OC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ SLCO2A1 Q92959 1/20 0.38
▸ PDE4D Q08499 5/20 0.38
▸ PTGER4 P35408 2/20 0.36
▸ PTGER3 P43115 2/20 0.36
▸ PTGER2 P43116 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL3984972 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3984977 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3984970 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL4192872 0.93 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1PDE4DPTGER4
SCHEMBL4192876 0.93 ALDH1A1 (0.46) ALDH1A1PTGDR2SLCO2A1PDE4DPTGER4
SCHEMBL4189569 0.92 PTGDR2 (0.47) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL4189577 0.92 PTGDR2 (0.47) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL4189578 0.92 PTGDR2 (0.47) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL4189573 0.92 PTGDR2 (0.47) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3992649 0.86 PDE4D (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 594/4885KDM4E 2807/4885HKDC1 3782/4885

“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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