SCHEMBL21523907

SCHEMBL21523907

CCCCC(F)(F)C(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
OPRM1 P35372 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL21500583 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL21523908 0.79
SCHEMBL2343807 0.78 LMNA (0.38) ALDH1A1OPRM1SMN1; SMN2LMNATSHR
SCHEMBL440297 0.78 CES2 (0.30) SMN1; SMN2TSHRCES2LPAR1LPAR3
SCHEMBL28463852 0.75 OPRM1 (0.38) ALDH1A1OPRM1SMN1; SMN2LMNATSHR
SCHEMBL21938390 0.72 CES2 (0.32) OPRM1LMNATSHRHSD17B10MEN1
SCHEMBL2328545 0.71 LMNA (0.45) ALDH1A1OPRM1SMN1; SMN2LMNATSHR
SCHEMBL26064066 0.70 CES2 (0.31) LMNATSHRCES2LPAR1LPAR3
SCHEMBL24248160 0.70 CES2 (0.32) HSD17B10MEN1KMT2ACES2LPAR1
SCHEMBL18882261 0.70 MEN1 (0.33) LMNAMEN1KMT2A

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-10457623-B1 Process for the preparation of Lubiprostone and intermediates thereof CHIROGATE INTERNATIONAL INC. (TW) 2019-10-29 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-10457623-B1 Process for the preparation of Lubiprostone and intermediates thereof PTGIS, PTGIR, SQLE ALDH1A1 1683/4885OPRM1 2810/4885SMN1; SMN2 2306/4885

“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.