SCHEMBL8898886

SCHEMBL8898886

CCC(Cc1ccccc1)(C(=O)c1ccc(NCCCOC)cc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2B P18089 1/20 0.42
OPRD1 P41143 1/20 0.42
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL8897911 0.94 CA1 (0.41) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL3421885 0.88 HDAC3 (0.38) SCN5ALMNAKDM4ECA1CA2
SCHEMBL13342972 0.87 MLYCD (0.37) SCN5ALMNAKDM4ECA1CA2
SCHEMBL21275941 0.87 MLYCD (0.42) SCN5ALMNAKDM4ECYP1A2MAOA
SCHEMBL8180474 0.87 SIGMAR1 (0.39) SCN5ALMNAKDM4ECA1CA2
SCHEMBL8174827 0.87 HDAC3 (0.37) SCN5ALMNAKDM4ECA1CA2
SCHEMBL238708 0.85 HDAC3 (0.39) CYP3A4LMNACA1CA2ACHE
SCHEMBL16552445 0.85 HDAC3 (0.38) SCN5AABCB11CYP3A4ADRA2BOPRD1
SCHEMBL13310011 0.83 CHRNB2 (0.41) SCN5ALMNAKDM4ECYP1A2MAOA
SCHEMBL13310013 0.82 LMNA (0.40) SCN5AABCB11CYP3A4ADRA2BOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 US disclosed
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 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-20080021126-A1 Functionalized Photoinitiators PPOX, TYR, CYP1A1 SCN5A 4435/4885ABCB11 3766/4885CYP3A4 38/4885

“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.