SCHEMBL16403662

SCHEMBL16403662

COc1ccccc1/C=C\C(=O)/C=C/c1ccccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 1.00
TFEB P19484 1/20 1.00
MAPT P10636 5/20 0.84
KDM4E B2RXH2 3/20 0.84
NPC1 O15118 3/20 0.84
RAB9A P51151 2/20 0.84
MAPK1 P28482 2/20 0.84
ATM Q13315 1/20 0.84
NPSR1 Q6W5P4 1/20 0.84
TDP1 Q9NUW8 1/20 0.84
LY96 Q9Y6Y9 2/20 0.81
LMNA P02545 2/20 0.70
BCHE P06276 1/20 0.70
HPGD P15428 4/20 0.67
MAOB P27338 3/20 0.64
AR P10275 1/20 0.64
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP1A1 P04798 2/20 0.62
CYP1B1 Q16678 2/20 0.62

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
SCHEMBL2744047 1.00 NFE2L2 (1.00) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL30307386 1.00 NFE2L2 (1.00) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL29805195 1.00 NFE2L2 (1.00) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL2744044 1.00 NFE2L2 (1.00) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL28360791 0.92 MAPT (1.00) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL16093028 0.92 NFE2L2 (0.84) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL27034286 0.90 NFE2L2 (0.81) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL609604 0.88 NFE2L2 (0.78) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL609603 0.88 NFE2L2 (0.78) NFE2L2TFEBMAPTKDM4ENPC1
SCHEMBL28356941 0.87 NFE2L2 (0.77) NFE2L2TFEBMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004120-B1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION UNIV NANYANG TECH (SG) 2018-08-29 EP disclosed
US-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-19 US disclosed
EP-3004120-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION Nanyang Technological University (SG) 2016-04-13 EP disclosed
WO-2014196930-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-12-11 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-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION SBK1, SIK1, PDPK1 NFE2L2 997/4885TFEB 3157/4885MAPT 4690/4885

“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.