SCHEMBL1406483

SCHEMBL1406483

COC(=O)c1cc(I)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
XDH P47989 2/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ESR1 P03372 2/20 0.44
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL755528 0.88 GAA (0.59) GAALMNATDP1KDM4EXDH
SCHEMBL5223931 0.86 KDM4E (0.65) GAALMNATDP1KDM4EXDH
SCHEMBL10321849 0.85 NOTUM (0.50) GAALMNATDP1KDM4EXDH
SCHEMBL10322959 0.82 TPMT (0.49) GAALMNATDP1KDM4EXDH
SCHEMBL30924510 0.81 GAA (0.52) GAALMNATDP1KDM4EXDH
SCHEMBL2122707 0.81 SMN1; SMN2 (0.46) GAALMNATDP1POLBL3MBTL1
SCHEMBL1406980 0.81 GLRA3 (0.53) GAALMNATDP1KDM4EPOLB
SCHEMBL24821894 0.80 GAA (0.50) GAALMNATDP1KDM4EXDH
SCHEMBL805447 0.80 GAA (0.46) GAALMNATDP1KDM4EXDH
SCHEMBL10322876 0.79 KDM4E (0.53) GAALMNATDP1KDM4EXDH

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
EP-2484669-B1 PHENOL DERIVATIVES FUJI YAKUHIN CO LTD (JP) 2015-07-29 EP disclosed
US-8367843-B2 Phenol derivative FUJI YAKUHIN CO., LTD. (JP) 2013-02-05 US disclosed
EP-2484669-A1 NOVEL PHENOL DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120184587-A1 NOVEL PHENOL DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2012-07-19 US disclosed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US disclosed
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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 (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-20120184587-A1 NOVEL PHENOL DERIVATIVE XDH, REN, UTS2R GAA 1233/4885LMNA 4048/4885TDP1 2806/4885
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG GAA 1610/4885LMNA 3807/4885TDP1 3677/4885

“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.