SCHEMBL1962593

SCHEMBL1962593

CCCCCC1CCC(c2ccc(-c3ccc(C4(C(=O)O)CCC(C(=O)Nc5ccc(B6OC(C)(C)C(C)(C)O6)c(C)c5)CC4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
DGAT1 O75907 4/20 0.34
MCHR1 Q99705 2/20 0.33
CYP3A4 P08684 2/20 0.33
APP P05067 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK14 Q16539 4/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1962592 1.00 GBA1 (0.34) GBA1DGAT1MCHR1CYP3A4APP
SCHEMBL9936079 0.85 GBA1 (0.34) GBA1DGAT1MCHR1MAPK14MAPT
SCHEMBL9936081 0.85 GBA1 (0.34) GBA1DGAT1MCHR1MAPK14MAPT
SCHEMBL9936085 0.85 GBA1 (0.34) GBA1DGAT1MCHR1MAPK14MAPT
SCHEMBL1961233 0.84 ALDH1A1 (0.42) DGAT1CYP2C9MAPK14ALDH1A1LMNA
SCHEMBL1961256 0.82 ALDH1A1 (0.42) DGAT1CYP2C9MAPK14ALDH1A1LMNA
SCHEMBL1961254 0.82 ALDH1A1 (0.42) DGAT1CYP2C9MAPK14ALDH1A1LMNA
SCHEMBL1962066 0.81 MAPT (0.44) CYP2C9MAPK14ALDH1A1LMNAMAPT
SCHEMBL1962070 0.81 MAPT (0.44) CYP2C9MAPK14ALDH1A1LMNAMAPT
SCHEMBL1963458 0.77 MAPK14 (0.41) GBA1MAPK14MAPTKMT2AMEN1

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-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 GBA1 2937/4885DGAT1 2710/4885MCHR1 371/4885

“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.