SCHEMBL4828442

SCHEMBL4828442

CC(=O)OCC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
LMNA P02545 3/20 0.57
PTPN1 P18031 1/20 0.57
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GMNN O75496 2/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CMKLR1 Q99788 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL8396440 0.83 PTPN1 (0.61) NPC1LMNAPTPN1ALDH1A1MAPT
SCHEMBL14381007 0.82 LMNA (0.44) NPC1LMNAPTPN1ALDH1A1MAPT
SCHEMBL4828397 0.82 LMNA (0.44) NPC1LMNAPTPN1ALDH1A1MAPT
SCHEMBL27832230 0.81 NPC1 (0.77) NPC1LMNAPTPN1ALDH1A1MAPT
SCHEMBL4835943 0.81 LMNA (0.51) NPC1LMNAPTPN1ALDH1A1HPGD
SCHEMBL4831696 0.80 HPGD (0.52) NPC1LMNAALDH1A1MAPTHPGD
SCHEMBL6514656 0.79 NPC1 (0.55) NPC1LMNAPTPN1ALDH1A1MAPT
SCHEMBL14440784 0.79 HRH3 (0.58) PTPN1ALDH1A1MAPTHPGDKDM4E
SCHEMBL19339818 0.78 LMNA (0.55) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL14065383 0.78 LMNA (0.55) NPC1LMNAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378116-B2 Phenylnaphthylimidazole compound and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2013-02-19 US disclosed
EP-1753728-B1 PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING SHIKOKU CHEM (JP) 2012-12-19 EP disclosed
US-20120199385-A1 PHENYLNAPHTHYLIMIDAZOLE COMPOUND AND USAGE OF THE SAME SHIKOKU CHEMICALS CORPORATION (JP) 2012-08-09 US disclosed
US-8183386-B2 Phenylnaphthylimidazole compound and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2012-05-22 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20070246134-A1 Phenylnaphthylimidazole Compound and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2007-10-25 US disclosed
EP-1753728-A1 PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING SHIKOKU CHEMICALS CORPORATION (JP) 2007-02-21 EP disclosed
WO-2005121101-A1 PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING SHIKOKU CHEMICALS CORPORATION (JP) 2005-12-22 WO disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO 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 (3 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-20070246134-A1 Phenylnaphthylimidazole Compound and Usage of the Same CYP1A1, CYP1A2, P4HA1 NPC1 854/4885LMNA 4053/4885PTPN1 1415/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B NPC1 2500/4885LMNA 4134/4885PTPN1 1621/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C NPC1 1529/4885LMNA 3528/4885PTPN1 2159/4885

“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.