SCHEMBL3421885

SCHEMBL3421885

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 1/20 0.38
SIGMAR1 Q99720 8/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL13342972 0.97 MLYCD (0.37) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL238708 0.93 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL8174827 0.90 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL21275941 0.90 MLYCD (0.42) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL8180474 0.90 SIGMAR1 (0.39) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL8898886 0.88 SCN5A (0.42) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL8897911 0.85 CA1 (0.41) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL3424355 0.85 RORC (0.40) HDAC3HDAC1HDAC2NCOR2SIGMAR1
SCHEMBL3354234 0.84 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2CA1
SCHEMBL8898598 0.84 CA1 (0.39) HDAC3HDAC1HDAC2NCOR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664629-B1 Functionalised photoinitiators BASF SE (DE) 2014-11-12 EP disclosed
EP-1711862-B1 FUNCTIONALIZED PHOTOINITIATORS BASF SE (DE) 2014-09-10 EP disclosed
EP-1711862-B1 FUNCTIONALIZED PHOTOINITIATORS BASF SE (DE) 2014-09-10 EP disclosed
EP-2664629-A1 Functionalised photoinitiators Ciba Holding Inc. (CH) 2013-11-20 EP disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
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-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 US disclosed
EP-1711862-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2006-10-18 EP disclosed
WO-2005076074-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-08-18 WO disclosed
US-20040068110-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same CHIU CHINGFAN CHRIS 2004-04-08 US disclosed
EP-1357117-A2 Novel aminoketone derivatives and preparation process and uses of the same as photoinitiators Chiu, Chingfan Chris (TW) 2003-10-29 EP disclosed
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US 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 (2 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 HDAC3 3675/4885HDAC1 2825/4885HDAC2 3793/4885
US-20040068110-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same MITF, DHPS, DTYMK HDAC3 3323/4885HDAC1 2705/4885HDAC2 3869/4885

“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.