SCHEMBL5726229

SCHEMBL5726229

COc1cc(Cl)cc(OCCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.41
AHR P35869 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
DRD4 P21917 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK1 P28482 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL5726200 0.91 MAPT (0.47) MAPTALDH1A1AHRTDP1L3MBTL1
SCHEMBL10928257 0.90 ALDH1A1 (0.50) ALDH1A1AHRL3MBTL1MAOAMAOB
SCHEMBL5724934 0.86 MAPT (0.53) MAPTTDP1L3MBTL1DRD4MAPK1
SCHEMBL7391987 0.84 ALDH1A1 (0.48) ALDH1A1AHRMAOAMAOBFFAR1
SCHEMBL10921819 0.83 ALDH1A1 (0.42) MAPTALDH1A1AHRMAOAMAOB
SCHEMBL5726046 0.80 ALDH1A1 (0.52) ALDH1A1AHRMAOAMAOBFFAR1
SCHEMBL17911632 0.79 KCNA3 (0.38) MAPTMAOAMAOB
SCHEMBL4055639 0.79 MAPT (0.50) MAPTMAOAMAOBMAPK1
SCHEMBL21263 0.77 ALDH1A1 (0.69) ALDH1A1AHR
SCHEMBL5043400 0.76 MAPT (0.55) MAPTTDP1L3MBTL1DRD4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MAPT 4871/4885ALDH1A1 2216/4885AHR 2327/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MAPT 4871/4885ALDH1A1 2216/4885AHR 2327/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MAPT 4871/4885ALDH1A1 2216/4885AHR 2327/4885

“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.