SCHEMBL3425604

SCHEMBL3425604

O=C(c1ccc(F)cc1)C(Br)CCCCCC(Br)C(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HTR7 P34969 1/20 0.41
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
GSK3B P49841 2/20 0.38

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
SCHEMBL9211326 0.84 PTPN1 (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4936186 0.84 SLC6A3 (0.55) ALDH1A1RAB9APTPN1NPC1CES2
SCHEMBL2702007 0.79 PTPN1 (0.47) ALDH1A1RAB9APTPN1NPC1CES2
SCHEMBL1363042 0.79 FAAH (0.41) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5052427 0.78 MMP2 (0.47) ALDH1A1MEN1KMT2ARAB9APTPN1
SCHEMBL10355836 0.76 PTPN1 (0.46) ALDH1A1MAPTRAB9APTPN1NPC1
SCHEMBL3364624 0.76 GSK3B (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28191089 0.76 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10965524 0.75 MMP2 (0.55) ALDH1A1MAPTGSK3BGAALCK
SCHEMBL10833561 0.75 MMP2 (0.55) ALDH1A1MAPTGSK3BGAALCK

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.