SCHEMBL9932317

SCHEMBL9932317

C#CCOCC(C)=CCc1cc(Br)ccc1OCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
LMNA P02545 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP2C9 P11712 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CYP19A1 P11511 2/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PYCR1 P32322 1/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL8513968 1.00 HPGD (0.39) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8515539 0.81 PTGS1 (0.36) HPGDLMNASMN1; SMN2KMT2ACYP3A4
SCHEMBL8515538 0.81 PTGS1 (0.36) HPGDLMNASMN1; SMN2KMT2ACYP3A4
SCHEMBL8512148 0.81 LMNA (0.40) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8512153 0.81 LMNA (0.40) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8515544 0.77 KMT2A (0.37) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8515543 0.77 KMT2A (0.37) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL4014116 0.71 CYP3A4 (0.42) HPGDLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8712221 0.69 PTGDR2 (0.59) LMNARAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL30152364 0.69 PTGDR2 (0.59) LMNARAB9ASMN1; SMN2KMT2ACYP3A4

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 HPGD 1141/4885LMNA 616/4885RAB9A 1829/4885

“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.