SCHEMBL8538917

SCHEMBL8538917

O=C1CCC2(CC1Cc1ccc(Br)cc1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD11B1 P28845 3/20 0.32
HMOX1 P09601 2/20 0.32
MAOB P27338 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
KMT2A Q03164 2/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
LIG1 P18858 1/20 0.31
MDM2 Q00987 1/20 0.30

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
SCHEMBL17592658 0.86 DDB1 (0.43) SMN1; SMN2HSD11B1MAOBKMT2AHTT
SCHEMBL1709368 0.83 PPARG (0.35) HSD11B1
SCHEMBL7089627 0.78 CYP27A1 (0.37) PTGS1PTGS2
SCHEMBL8534392 0.77 POLB (0.34) POLB
SCHEMBL8534391 0.77 POLB (0.34) POLB
SCHEMBL8360656 0.73 POLB (0.38) POLBLMNASMN1; SMN2KMT2AHTT
SCHEMBL17592593 0.72 KMT2A (0.31) LMNAKMT2AALDH1A1
SCHEMBL1837164 0.69 MEN1 (0.39) POLBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL30727008 0.69 C5AR1 (0.36) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL12645998 0.69 PTGS2 (0.56) PTGS1PTGS2KMT2AOPRK1HTT

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO 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 POLB 1977/4885LMNA 616/4885SMN1; SMN2 54/4885

“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.