SCHEMBL4893219

SCHEMBL4893219

CC(C)COC(=O)[C@@H]1CCCN1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
HTT P42858 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ACE P12821 6/20 0.36
REN P00797 3/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.36
PEPD P12955 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL18948660 0.83 RAB9A (0.55) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL19215660 0.82 RAB9A (0.54) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL19737744 0.82 RAB9A (0.54) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL4892941 0.81 FKBP1A (0.49) HTTTSHRALDH1A1KDM4EMAPT
SCHEMBL4454199 0.81 FKBP1A (0.49) HTTTSHRALDH1A1KDM4EMAPT
SCHEMBL19737785 0.81 RAB9A (0.52) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL18051442 0.80 RAB9A (0.58) RAB9AHTTTSHRALDH1A1GAA
Hydrochloric Acid SCHEMBL5980951 0.79 FKBP1A (0.48) TSHRALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL953015 0.79 FKBP1A (0.48) TSHRALDH1A1KDM4EMAPT
SCHEMBL24131501 0.79 RAB9A (0.50) RAB9AHTTTSHRALDH1A1GAA

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-20080176923-A1 Proline Derivatives Used as Pharmaceutical Active Ingredients for the Treatment of Tumors SALAMA ZOSER B 2008-07-24 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-20080176923-A1 Proline Derivatives Used as Pharmaceutical Active Ingredients for the Treatment of Tumors PREP, PRAP1, VHL RAB9A 2917/4885HTT 1976/4885TSHR 4390/4885

“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.