SCHEMBL9613657

SCHEMBL9613657

Cc1ccccc1C(=C1CCN(C)CC1)c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.61
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HCN1 O60741 1/20 0.39

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
SCHEMBL16142405 0.81 SETD7 (0.45) SETD7HTTALDH1A1CYP3A4CYP2C9
SCHEMBL13437756 0.79 SETD7 (0.54) SETD7HTTALDH1A1DRD2DRD1
SCHEMBL8311551 0.77 CYP2D6 (0.42) SETD7ALDH1A1CYP2C19DRD2DRD4
SCHEMBL4079255 0.76 SETD7 (1.00) SETD7MAOAMAOBDRD2DRD1
SCHEMBL9256562 0.74 SMN1; SMN2 (0.40) HTTALDH1A1CYP3A4CYP2C9HPGD
Toluic Acid SCHEMBL30027508 0.74 L3MBTL1 (0.49) SETD7HTTALDH1A1CYP3A4CYP2C9
SCHEMBL13437764 0.72 SETD7 (0.54) SETD7HTTALDH1A1DRD2DRD1
SCHEMBL14707030 0.72 ALDH1A1 (0.40) HTTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL13437754 0.71 SETD7 (0.66) SETD7HTTALDH1A1DRD2DRD1
SCHEMBL4548030 0.70 HTT (0.77) HTTALDH1A1CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2012-05-31 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 (2 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-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 SETD7 2949/4885HTT 49/4885ALDH1A1 1031/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 SETD7 2949/4885HTT 49/4885ALDH1A1 1031/4885

“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.