SCHEMBL7943876

SCHEMBL7943876

Cc1ccc(C(=O)CCCl)c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
GSK3B P49841 2/20 0.32
CTNNB1 P35222 2/20 0.30
WNT3A P56704 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL27042972 0.81 ALDH1A1 (0.33) MEN1KMT2AHTTGSK3BPOLB
SCHEMBL286718 0.74 HAAO (0.42) MEN1KMT2ANCEH1
SCHEMBL12544237 0.72 SIRT3 (0.41) KMT2AHTTNCEH1
SCHEMBL5459335 0.71 LMNA (0.48) MEN1KMT2AHTTCTNNB1WNT3A
SCHEMBL12860312 0.71 CTNNB1 (0.56) MEN1KMT2ACTNNB1WNT3A
SCHEMBL11620648 0.70 MEN1 (0.38) MEN1KMT2AHTTGSK3B
SCHEMBL20554833 0.70 SHBG (0.55) MEN1KMT2AHTTGAA
SCHEMBL20554676 0.70 PIK3CA (0.40) MEN1KMT2AHTT
SCHEMBL30132562 0.70 SHBG (0.55) MEN1KMT2AHTTGAA
SCHEMBL26607361 0.70 MEN1 (0.38) MEN1KMT2AHTTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633252-B2 Use of pterosin compounds for treating diabetes and obesity TAIPEI MEDICAL UNIVERSITY (TW) 2014-01-21 US disclosed
US-8633252-B2 Use of pterosin compounds for treating diabetes and obesity TAIPEI MEDICAL UNIVERSITY (TW) 2014-01-21 US disclosed
US-20100190732-A1 USE OF PTEROSIN COMPOUNDS FOR TREATING DIABETES AND OBESITY TAIPEI MEDICAL UNIVERSITY (TW) 2010-07-29 US disclosed
US-20100190732-A1 USE OF PTEROSIN COMPOUNDS FOR TREATING DIABETES AND OBESITY TAIPEI MEDICAL UNIVERSITY (TW) 2010-07-29 US disclosed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US disclosed
EP-0865419-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE Venantius Limited (IE) 1998-09-23 EP 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-20100190732-A1 USE OF PTEROSIN COMPOUNDS FOR TREATING DIABETES AND OBESITY PGC, PTMA, GPR119 MEN1 2040/4885KMT2A 1725/4885HTT 3107/4885

“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.