SCHEMBL2832393

SCHEMBL2832393

C#Cc1ccc(OCCCCCCCCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
LTA4H P09960 4/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARB P10826 3/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G4A P47712 1/20 0.47

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
SCHEMBL948700 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL946779 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL3924421 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9706419 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL4748828 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL949228 0.98 NR5A1 (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL7697232 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10987211 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1007565 0.94 LTA4H (0.53) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL10987443 0.93 CYP2D6 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B

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
CN-102911346-A Water-soluble conjugate asymmetric small molecular of which main chain contains oligomeric phenylene ethynylene and synthesis and application thereof UNIV NANJING POSTS & TELECOMM 2013-02-06 CN claimed
CN-102911346-A Water-soluble conjugate asymmetric small molecular of which main chain contains oligomeric phenylene ethynylene and synthesis and application thereof UNIV NANJING POSTS & TELECOMM 2013-02-06 CN disclosed
US-7842758-B2 Conjugated materials featuring proquinoidal units THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-11-30 US disclosed
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-03 US disclosed
WO-2007081991-A9 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS UNIV PENNSYLVANIA (US) 2007-09-07 WO disclosed
WO-2007081991-A2 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-19 WO disclosed
US-20050258398-A1 Dithia-s-indacene derivative TAKASAGO INTERNATIONAL CORPORATION 2005-11-24 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 (2 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-20050258398-A1 Dithia-s-indacene derivative DDB1, XDH, TXNL1 NR5A1 379/4885LTA4H 1401/4885TP53 2405/4885
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS PML, ILK, PARG NR5A1 3829/4885LTA4H 1785/4885TP53 1330/4885

“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.