SCHEMBL4598520

SCHEMBL4598520

C=Cc1cc(C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SRC P12931 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL16950983 0.82 NFE2L2 (0.41) NFE2L2TDP1TP53ALDH1A1HSD17B10
SCHEMBL14536231 0.82 NFE2L2 (0.48) NFE2L2TDP1TP53ALDH1A1HSD17B10
SCHEMBL5084622 0.78 TDP1 (0.44) TDP1TP53ALDH1A1ACHECYP1A2
SCHEMBL17103491 0.77 NFE2L2 (0.41) NFE2L2TDP1ALDH1A1HSD17B10ACHE
SCHEMBL459167 0.77 SRC (0.47) NFE2L2ALDH1A1CYP2A6KDM4ESRC
SCHEMBL29392003 0.76 ALOX5 (0.47) TDP1TP53ALDH1A1HSD17B10ACHE
SCHEMBL29442889 0.76 NFE2L2 (0.54) NFE2L2ALDH1A1
SCHEMBL87447 0.76 ALOX5 (0.47) TDP1TP53ALDH1A1HSD17B10ACHE
SCHEMBL491580 0.76 NFE2L2 (0.54) NFE2L2ALDH1A1
SCHEMBL16961910 0.74 NFE2L2 (0.39) NFE2L2TDP1TP53ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927253-B1 ORGANOPOLYSILOXANE GRAFT POLYMER KAO CORP (JP) 2018-09-12 EP disclosed
US-9351920-B2 Organopolysiloxane graft polymer KAO CORPORATION (JP) 2016-05-31 US disclosed
US-20150297498-A1 ORGANOPOLYSILOXANE GRAFT POLYMER KAO CORPORATION (JP) 2015-10-22 US disclosed
EP-2927253-A1 ORGANOPOLYSILOXANE GRAFT POLYMER Kao Corporation (JP) 2015-10-07 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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 (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-20150297498-A1 ORGANOPOLYSILOXANE GRAFT POLYMER IDUA, PIGS, GMNN NFE2L2 4047/4885TDP1 2793/4885TP53 4544/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 NFE2L2 3430/4885TDP1 4587/4885TP53 2854/4885

“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.