SCHEMBL3136818

SCHEMBL3136818

CCCCCCOc1ccc(OC(=O)/C=C/c2ccc(OCCOC(=O)c3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 4/20 0.46
LMNA P02545 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
BCHE P06276 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL3136833 1.00 ABCG2 (0.47) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3146832 0.99 ABCG2 (0.47) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3146822 0.99 ABCG2 (0.47) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3147040 0.97 NPC1 (0.51) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3147029 0.97 NPC1 (0.51) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3131866 0.97 NPC1 (0.50) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3133583 0.97 NPC1 (0.50) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3146882 0.97 NPC1 (0.50) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3136863 0.97 NPC1 (0.50) ABCG2NPC1MAPTRAB9AALDH1A1
SCHEMBL3147020 0.97 NPC1 (0.50) ABCG2NPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP disclosed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US disclosed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US disclosed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP disclosed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 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-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 ABCG2 4019/4885NPC1 4884/4885MAPT 467/4885

“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.