SCHEMBL9925375

SCHEMBL9925375

CC[C@H](C)COC(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
FAAH O00519 1/20 0.35
ELANE P08246 1/20 0.33
FFAR1 O14842 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCA P17252 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
SCHEMBL21811653 0.83 TSHR (0.41) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL9239313 0.82 MGAM (0.50) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL30320231 0.82 MAPT (0.47) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL5859548 0.82 MGAM (0.50) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL14672451 0.82 MAPT (0.47) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL2854978 0.82 MAPT (0.47) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL2887233 0.80 TSHR (0.48) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL142561 0.79
SCHEMBL985280 0.78 MAPT (0.48) MAPTTSHRTDP1CYP3A4ATM
SCHEMBL9925374 0.78 ALDH1A1 (0.54) MAPTTSHRTDP1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 US disclosed
US-8754067-B2 22-haloacetoxy-homopregnacalciferol analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-17 US disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 US disclosed
US-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-14 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-20120149669-A1 22-Haloacetoxy-Homopregnacalciferol Analogs and Their Uses CYP27B1, CYP27A1, MCL1 MAPT 4346/4885TSHR 4543/4885TDP1 4784/4885

“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.