SCHEMBL3421544

SCHEMBL3421544

CNC(CCCCCC(NC)C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA1B Q00975 2/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 2/20 0.41
HTR7 P34969 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL30320652 0.87 ALDH1A1 (0.54) ALDH1A1CACNA1BHPGDSLC6A2SLC6A3
SCHEMBL28443916 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CACNA1BHPGDSLC6A2
SCHEMBL18910128 0.83 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL3425604 0.74 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9665425 0.73 HTR7 (0.53) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9874250 0.73 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2HPGDSLC6A2
SCHEMBL14655818 0.73 HTR1B (0.49) ALDH1A1KMT2ASMN1; SMN2HPGDSLC6A2
SCHEMBL23431370 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28191089 0.72 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL28931348 0.71 SLC6A3 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2SLC6A2

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-2664629-B1 Functionalised photoinitiators BASF SE (DE) 2014-11-12 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-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

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 ALDH1A1 39/4885MEN1 1586/4885MAPT 326/4885

“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.