SCHEMBL4821975

SCHEMBL4821975

CC(=O)OC(CCl)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
DNM1 Q05193 3/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
AGER Q15109 1/20 0.43
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Formaldehyde SCHEMBL27608246 0.97 BACE1 (0.45) BACE1ALDH1A1HPGDDNM1KDM4E
SCHEMBL4823522 0.84 PSEN1 (0.38) BACE1ALDH1A1HPGDDNM1KDM4E
SCHEMBL4814812 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4814808 0.79 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4814647 0.79 PTGER4 (0.47) ALDH1A1HPGDDNM1KDM4ELMNA
SCHEMBL14830784 0.78 AR (0.40) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL4825653 0.78 KDM4E (0.39) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4814796 0.77 CRY1 (0.34) BACE1ALDH1A1HPGDDNM1KDM4E
SCHEMBL4814789 0.77 CRY1 (0.34) BACE1ALDH1A1HPGDDNM1KDM4E
SCHEMBL4825905 0.74 MEN1 (0.41) ALDH1A1HPGDKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445877-B2 Charge transport materials having a central disulfane linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-11-04 US disclosed
US-7326506-B2 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-02-05 US disclosed
EP-1600821-B1 Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO LTD (KR) 2007-02-28 EP disclosed
US-20050277038-A1 Charge transport materials having a central disulfane linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-15 US disclosed
US-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage S-PRINTING SOLUTION CO., LTD. (KR) 2005-12-01 US disclosed
EP-1600821-A1 Bridged charge transport materials having a central sulfur atom linkage Samsung Electronics Co., Ltd. (KR) 2005-11-30 EP disclosed
CN-1702563-A Bridged charge transport materials having a central sulfur atom linkage SAMSUNG ELECTRONICS CO LTD (KR) 2005-11-30 CN 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-20050266329-A1 Bridged charge transport materials having a central sulfur atom linkage NR2E3, NR4A2, NR2C2 BACE1 3247/4885ALDH1A1 1796/4885HPGD 3366/4885

“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.