SCHEMBL4930405

SCHEMBL4930405

O=C(O)c1ccc2c3ccc(C(=O)NC4CCCCC4)c4c(C(=O)NC5CCCCC5)ccc(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 4/20 0.51
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.47
APOBEC3G Q9HC16 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL823149 1.00 NPC1 (0.51) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL16351826 1.00 NPC1 (0.51) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL822757 0.98 GAA (0.50) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12021902 0.94 NPC1 (0.57) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL2159871 0.94 NPC1 (0.57) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL823228 0.94 NPC1 (0.57) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12021895 0.92 GAA (0.55) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL5053780 0.92 GAA (0.55) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL822571 0.92 GAA (0.55) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12038246 0.90 ALDH1A1 (0.43) NPC1RAB9AALDH1A1LMNAKDM4E

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
US-11022592-B2 Chemical self-doping of one-dimensional organic nanomaterials for high conductivity application in chemiresistive sensing gas or vapor UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
EP-3383876-A2 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRESISTIVE SENSING GAS OR VAPOR University of Utah Research Foundation (US) 2018-10-10 EP disclosed
WO-2017142609-A2 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRESISTIVE SENSING GAS OR VAPOR UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-24 WO disclosed
US-20170160252-A1 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRSISTIVE SENSING GAS OR VAPOR UNIVERSITY OF UTAH 2017-06-08 US disclosed
US-20080087878-A1 USE OF PERYLENE DIIMIDE DERIVATIVES AS AIR-STABLE N-CHANNEL ORGANIC SEMICONDUCTORS BASF AKIENGESELLSCHAFT (DE) 2008-04-17 US disclosed
US-20080035914-A1 Use of perylene diimide derivatives as air-stable n-channel organic semiconductors BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 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 (4 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-20080035914-A1 Use of perylene diimide derivatives as air-stable n-channel organic semiconductors KCNN2, CACNA1B, HCN4 NPC1 1238/4885RAB9A 1705/4885ALDH1A1 3133/4885
US-20170160252-A1 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRSISTIVE SENSING GAS OR VAPOR DRD1, DRD4, DNER NPC1 3748/4885RAB9A 690/4885ALDH1A1 244/4885
US-20080087878-A1 USE OF PERYLENE DIIMIDE DERIVATIVES AS AIR-STABLE N-CHANNEL ORGANIC SEMICONDUCTORS KCNN2, HCN4, CACNA1B NPC1 1359/4885RAB9A 1727/4885ALDH1A1 3024/4885
US-11022592-B2 Chemical self-doping of one-dimensional organic nanomaterials for high conductivity application in chemiresistive sensing gas or vapor DRD1, DRD2, DNER NPC1 3590/4885RAB9A 689/4885ALDH1A1 323/4885

“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.