SCHEMBL2240494

SCHEMBL2240494

O=C(Cl)CCc1ccccc1.[Ar]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
ALDH1A1 P00352 2/20 0.59
FFAR1 O14842 2/20 0.59
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
HDAC1 Q13547 5/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.52

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
SCHEMBL5864 0.98 KEAP1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL28338568 0.95 KEAP1 (0.64) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL8591123 0.88 KEAP1 (0.55) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL9135914 0.85 FFAR1 (0.50) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL1912568 0.85 FFAR1 (0.71) KEAP1FFAR1HDAC2HDAC1HTT
Tetrahydrofuran SCHEMBL28927730 0.85 FKBP1A (0.57) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL61491 0.84 HDAC1 (0.69) KEAP1ALDH1A1FFAR1HDAC2HDAC8
Trifluoroacetamide SCHEMBL28335370 0.83 CES1 (0.50) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL384438 0.83 MAPT (0.68) KEAP1HDAC2HDAC8HDAC6TDP1
SCHEMBL27538484 0.83 HDAC1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP disclosed
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (4 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 KEAP1 590/4885ALDH1A1 2528/4885FFAR1 1063/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 KEAP1 436/4885ALDH1A1 2250/4885FFAR1 1119/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 KEAP1 590/4885ALDH1A1 2528/4885FFAR1 1063/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 KEAP1 618/4885ALDH1A1 2075/4885FFAR1 964/4885

“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.