SCHEMBL441609

SCHEMBL441609

CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
PPARG P37231 2/20 0.34
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL12398784 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL439263 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL9679858 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL12398211 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL880199 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL4651492 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL12087432 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL3917512 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL12371400 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL12087586 0.84 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016230-A1 Salts of Prostaglandin Analog Intermediates APOTEX INC. (CA) 2018-01-18 US disclosed
US-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-03-15 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 (2 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-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF PTGIS, LSS, SQLE RAB9A 3902/4885SMN1; SMN2 1146/4885KDM4E 3835/4885
US-20180016230-A1 Salts of Prostaglandin Analog Intermediates PTGER1, PTGIS, PTGER3 RAB9A 1980/4885SMN1; SMN2 3134/4885KDM4E 4335/4885

“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.