SCHEMBL4355200

SCHEMBL4355200

CCN[C@H](Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL5819528 1.00 SIGMAR1 (0.60) SIGMAR1L3MBTL1MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL31086290 0.98 SIGMAR1 (0.58) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL11849805 0.89 SIGMAR1 (0.53) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL6932504 0.83 L3MBTL1 (0.57) SIGMAR1L3MBTL1MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL9155467 0.83 SIGMAR1 (0.61) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL27881567 0.82 MAPT (0.51) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL17465576 0.82 L3MBTL1 (0.65) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL28191143 0.82 L3MBTL1 (0.65) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL20817230 0.82 SIGMAR1 (0.47) SIGMAR1L3MBTL1MAPTALDH1A1HTT
SCHEMBL476492 0.81 LMNA (0.46) SIGMAR1ALDH1A1HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108654698-B Preparation method and application of chiral nanogold photocatalyst 湖南师范大学 2020-11-06 CN claimed
CN-108654698-B Preparation method and application of chiral nanogold photocatalyst 湖南师范大学 2020-11-06 CN disclosed
CN-108654698-B Preparation method and application of chiral nanogold photocatalyst 湖南师范大学 2020-11-06 CN disclosed
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 2009-11-05 US disclosed
EP-1942103-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE Kaneka Corporation (JP) 2008-07-09 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-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE SMS, SRM, ABHD5 SIGMAR1 1340/4885L3MBTL1 3935/4885MAPT 4365/4885

“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.