SCHEMBL5852205

SCHEMBL5852205

COc1cc(C)c(Br)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TUBB1 Q9H4B7 2/20 0.41
APP P05067 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 2/20 0.39
CGAS Q8N884 1/20 0.38

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
SCHEMBL1129074 0.91 MAPT (0.45) ALOX5PTGS2TSHRSMN1; SMN2MAOB
SCHEMBL25648797 0.83 ALOX5 (0.45) ALOX5PTGS2MAPTNPSR1TUBB1
SCHEMBL8579736 0.82 ALOX5 (0.48) ALOX5PTGS2MAOBMAPTAPP
SCHEMBL8703848 0.82 ALOX5 (0.48) ALOX5PTGS2MAOBAPPPOLB
SCHEMBL1505362 0.81 MAPT (0.52) ALOX5PTGS2TSHRSMN1; SMN2MAPT
SCHEMBL11141284 0.81 TUBB1 (0.50) TSHRMAOBMAPTTUBB1MAOA
SCHEMBL3674401 0.79 MAOB (0.48) TSHRMAOBMAPTTUBB1MAOA
SCHEMBL29421892 0.79 MAOB (0.48) TSHRMAOBMAPTTUBB1MAOA
SCHEMBL10122740 0.79 TSHR (0.47) TSHRSMN1; SMN2MAPTNPSR1POLB
SCHEMBL5859293 0.79 TSHR (0.47) ALOX5PTGS2TSHRSMN1; SMN2MAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (3 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-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885PTGS2 634/4885TSHR 4335/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ALOX5 1879/4885PTGS2 2480/4885TSHR 2648/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885PTGS2 634/4885TSHR 4335/4885

“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.