SCHEMBL4814647

SCHEMBL4814647

CC(=O)OC(CCl)Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AR P10275 1/20 0.33
DNM1 Q05193 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
CYP2A6 P11509 1/20 0.32
SLC18A3 Q16572 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4825653 0.83 KDM4E (0.39) PTGER4GAAALDH1A1HPGDKDM4E
SCHEMBL4825904 0.80 MEN1 (0.41) GAAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4825905 0.80 MEN1 (0.41) GAAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4821975 0.79 BACE1 (0.47) ALDH1A1HPGDKDM4ELMNADNM1
SCHEMBL4814808 0.78 ALDH1A1 (0.42) PTGER4ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4814812 0.78 ALDH1A1 (0.42) PTGER4ALDH1A1HPGDKDM4ESMN1; SMN2
Formaldehyde SCHEMBL27608246 0.76 BACE1 (0.45) ALDH1A1HPGDKDM4ELMNADNM1
SCHEMBL4823522 0.73 PSEN1 (0.38) ALDH1A1HPGDKDM4ELMNADNM1
SCHEMBL14830784 0.72 AR (0.40) GAAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL27627440 0.69 KIF11 (0.38)

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 PTGER4 2142/4885GAA 4655/4885ALDH1A1 1796/4885

“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.