SCHEMBL13520528

SCHEMBL13520528

CO[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/C(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR52 Q9Y2T5 1/20 0.38
▸ ALOX5 P09917 3/20 0.38
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL13926069 0.91 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL13651456 0.88 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL13651441 0.88 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL10071672 0.87 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL13531618 0.87 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL4617880 0.87 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL4337454 0.87 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL13614205 0.87 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL13914986 0.87 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2GPR52
SCHEMBL12640046 0.87 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2GPR52

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-7642370-B2 Method for preparing prostaglandin derivative DAIICHI FINE CHEMICAL CO., LTD. (JP) 2010-01-05 — — US disclosed
US-20080033176-A1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-02-07 — — 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-20080033176-A1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE PTGIS, PTGS1, PTGER1 RAB9A 1462/4885NPC1 2674/4885KDM4E 3314/4885

“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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