SCHEMBL4825653

SCHEMBL4825653

CC(=O)OC(CCl)Cn1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2c2cc(C=C(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 7/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.35
PLK1 P53350 1/20 0.35
SLC18A3 Q16572 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGER4 P35408 1/20 0.34
DNMT1 P26358 3/20 0.33

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
SCHEMBL4814647 0.83 PTGER4 (0.47) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4825905 0.80 MEN1 (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4825904 0.80 MEN1 (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4821975 0.78 BACE1 (0.47) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4814808 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4814812 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTKMT2A
Formaldehyde SCHEMBL27608246 0.75 BACE1 (0.45) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL8689655 0.74 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL14275512 0.71 BACE1 (0.44) KDM4EMAPTKMT2ALMNAMEN1
SCHEMBL8687084 0.71 PTGER4 (0.59) KDM4EALDH1A1HPGDMAPTKMT2A

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 6 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

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 KDM4E 3516/4885ALDH1A1 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.