SCHEMBL8180474

SCHEMBL8180474

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SCN1A P35498 1/20 0.39
HTR2B P41595 1/20 0.39
SCN7A Q01118 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL3421885 0.90 HDAC3 (0.38) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL13342972 0.89 MLYCD (0.37) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL21275941 0.89 MLYCD (0.42) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL8174827 0.89 HDAC3 (0.37) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL238708 0.87 HDAC3 (0.39) SIGMAR1LMNAACHESCN1ASCN2A
SCHEMBL8898886 0.87 SCN5A (0.42) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL8898598 0.85 CA1 (0.39) LMNAACHERAB9AHDAC3HDAC1
SCHEMBL8897911 0.84 CA1 (0.41) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL2694407 0.84 SIGMAR1 (0.38) SIGMAR1LMNACYP1A2MAOACNR1
SCHEMBL3354234 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2NCOR2CA1

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
EP-1711862-B1 FUNCTIONALIZED PHOTOINITIATORS BASF SE (DE) 2014-09-10 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-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-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 (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 SIGMAR1 1181/4885LMNA 2359/4885CYP1A2 12/4885

“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.