SCHEMBL8900808

SCHEMBL8900808

C=CCC(C)(C(=O)c1ccc(N(CCOC)CCOC)cc1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MLYCD O95822 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRK1 P41145 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL13342971 0.94 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8899513 0.87 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8898694 0.86 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8896920 0.86 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL9679494 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8899027 0.84 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8898793 0.83 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8898854 0.80 MAPK1 (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1TSHR
SCHEMBL8898770 0.79 GSK3B (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL8897565 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1

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 ALDH1A1 39/4885MAPT 326/4885KDM4E 1615/4885

“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.