SCHEMBL3045830

SCHEMBL3045830

CCCCCCCCCCOc1ccc(CCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
TP53 P04637 3/20 0.58
HPGD P15428 1/20 0.58
LTA4H P09960 3/20 0.55
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
PLA2G4B P0C869 2/20 0.53

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
SCHEMBL3053786 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL11081319 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL14608689 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL3046736 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL3051340 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL3041460 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL3051075 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL9713418 1.00 NR5A1 (0.61) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL6018241 0.98 NR5A1 (0.58) NR5A1NPC1RAB9ATP53HPGD
SCHEMBL9428427 0.95 RARB (0.58) NR5A1NPC1RAB9ATP53HPGD

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-7671033-B2 Amphiphilic dendritic dipeptides and their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-02 US disclosed
US-7671033-B2 Amphiphilic dendritic dipeptides and their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-02 US disclosed
WO-2006085974-A2 AMPHIPHILIC DENDRITIC DIPEPTIDES & THEIR SELF-ASSEMBLY INTO HELICAL PORES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-08-17 WO disclosed
US-20060088499-A1 Amphiphilic dendritic dipeptides & their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2006-04-27 US disclosed
WO-2001076626-A2 LIPOPHILIC AROMATIC ALDEHYDE AND KETONE DERIVATIVES AND THE USE THEREOF AS IMMUNOSTIMULANTS AND ADJUVANTS GALENICA PHARMACEUTICALS, INC. (US) 2001-10-18 WO disclosed
EP-0212838-B1 OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND HAVING METHYLENEOXY GROUP AND COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-10-03 EP disclosed
US-4729847-A LIGHT SWITCHING ELEMENT CHISSO CORPORATION (JP) 1988-03-08 US disclosed
EP-0212838-A1 Optically active liquid crystal compound having methyleneoxy group and composition containing same Chisso Corporation (JP) 1987-03-04 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-20060088499-A1 Amphiphilic dendritic dipeptides & their self-assembly into helical pores DNPEP, VIP, APLNR NR5A1 3991/4885NPC1 1117/4885RAB9A 1951/4885

“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.