SCHEMBL14769176

SCHEMBL14769176

CC(C)C(=O)OCOP(=O)(Cc1ccccn1)OCOC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
FDPS P14324 2/20 0.42
PTPRA P18433 1/20 0.42
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
KCNA5 P22460 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14769163 0.81 LIPG (0.38) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14769225 0.78 CYP1A2 (0.52) ALDH1A1CYP1A2
SCHEMBL10258073 0.76 PGR (0.62) ALDH1A1CYP1A2PTPRAPGRADORA3
SCHEMBL992724 0.76 ALDH1A1 (0.53) ALDH1A1FDPSKCNA5
SCHEMBL14769243 0.76 CYP19A1 (0.41) ALDH1A1FDPSLMNATSHRKMT2A
SCHEMBL14769251 0.75 FDPS (0.43) ALDH1A1FDPSLMNAKMT2APOLB
SCHEMBL12414711 0.74 CA12 (0.56) ALDH1A1CYP1A2PTPRAPGRADORA3
SCHEMBL14769216 0.70 MEN1 (0.46) ALDH1A1FDPSPGRADORA3PTGS1
SCHEMBL21518588 0.69 ALDH1A1 (0.51) ALDH1A1CYP1A2FDPSKCNA5NPC1
SCHEMBL4016056 0.69 SMN1; SMN2 (0.57) ALDH1A1CYP1A2PGRADORA3PTGS1

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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR ALDH1A1 4044/4885CYP1A2 4027/4885FDPS 167/4885

“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.