SCHEMBL4474593

SCHEMBL4474593

COc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CYP19A1 P11511 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RELA Q04206 1/20 0.38
AHR P35869 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL11858741 0.87 MAPT (0.42) TDP1TSHRMAPK1CYP3A4MAPT
SCHEMBL3218519 0.84 TSHR (0.61) TDP1TSHRMAPK1CYP3A4CYP19A1
SCHEMBL4469997 0.80 HPGD (0.52) TDP1TSHRMAPK1RAB9ACYP19A1
SCHEMBL4457317 0.79 TDP1 (0.46) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL4463092 0.78 KIF11 (0.44) CYP3A4MAPTRAB9AHPGDNPSR1
SCHEMBL3222632 0.77 TSHR (0.53) TDP1TSHRMAPK1CYP3A4RAB9A
SCHEMBL6203055 0.77 TSHR (0.57) TDP1TSHRMAPK1CYP3A4RAB9A
SCHEMBL11866105 0.77 CYP3A4 (0.48) TDP1TSHRMAPK1CYP3A4MAPT
SCHEMBL4465602 0.75 TSHR (0.73) TDP1TSHRMAPK1CYP3A4LMNA
SCHEMBL14473616 0.75 CA1 (0.58) TDP1TSHRMAPK1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
US-3985766-A ANTIMYCOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 TDP1 4429/4885TSHR 1029/4885MAPK1 1793/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 TDP1 3508/4885TSHR 1171/4885MAPK1 789/4885

“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.