SCHEMBL7587876

SCHEMBL7587876

CCCCCCCOc1ccc(C(=O)Oc2cc3c4cc(OC(=O)c5ccc(OCCCCCCC)cc5)c(OC(=O)c5ccc(OCCCCCCC)cc5)cc4c4cc(OC(=O)c5ccc(OCCCCCCC)cc5)c(OC(=O)c5ccc(OCCCCCCC)cc5)cc4c3cc2OC(=O)c2ccc(OCCCCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PLA2G4B P0C869 5/20 0.60
RARB P10826 3/20 0.57
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
PLA2G4A P47712 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL9325684 1.00 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14262015 1.00 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4531460 1.00 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14262013 1.00 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14363608 0.87 NPC1 (0.61) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13612503 0.87 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13612509 0.87 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9403669 0.86 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21084422 0.86 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22341180 0.86 NPC1 (0.81) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9059410-B2 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-06-16 US disclosed
US-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-03-06 US disclosed
EP-0656559-B1 Optical compensatory sheet FUJI PHOTO FILM CO LTD (JP) 2002-10-16 EP disclosed
US-5736067-A SHEET COMPRISING LAYER IN CONDITION OF MONO-DOMAIN OF DISCOTIC NEMATIC PHASE, OPTIC AXIS OF SHEET INCLINED AT 5 TO 50 DEGREES FROM LINE NORMAL TO SHEET FUJI PHOTO FILM CO, LTD. (JP) 1998-04-07 US disclosed
US-5518783-A TRANSPARENT SUPPORT HAVING OPTIC AXIS INCLINED AT SPECIFIED ANGLE TO NORMAL, OPTICALLY ANISOTROPIC LAYER FORMED FROM DISCOTIC COMPOUND AND COMPATIBLE COMPOUND WHICH LOWERS TRANSITION TEMPERATURE FUJI PHOTO FILM CO., LTD. (JP) 1996-05-21 US disclosed
EP-0676652-A2 Optical compensatory sheet and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 1995-10-11 EP disclosed
EP-0656559-A1 Optical compensatory sheet and process for preparation of the same and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 1995-06-07 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-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same SLCO4C1, SLCO2A1, SLCO1A2 NPC1 376/4885LMNA 2564/4885NFKB1 4070/4885

“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.