SCHEMBL4457317

SCHEMBL4457317

COc1ccc(C(Cl)(Cl)c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
NFE2L2 Q16236 2/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
CA4 P22748 1/20 0.40
LTA4H P09960 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNN4 O15554 1/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL12370044 0.86 NFE2L2 (0.44) TDP1L3MBTL1MAPTNFE2L2RELA
SCHEMBL11867014 0.82 CA4 (0.40) TDP1L3MBTL1CA4LTA4HCA12
SCHEMBL11860877 0.81 RELA (0.42) TDP1L3MBTL1MAPTNFE2L2RELA
SCHEMBL11860326 0.79 HSD11B1 (0.47) TDP1L3MBTL1MAPTPOLBALDH1A1
SCHEMBL4470543 0.79 KCNN4 (0.42) TDP1L3MBTL1MAPTKMT2ACA2
SCHEMBL28076778 0.79 KMT2A (0.44) TDP1L3MBTL1MAPTNFE2L2RELA
SCHEMBL4474593 0.79 TDP1 (0.48) TDP1L3MBTL1MAPTRELAKMT2A
SCHEMBL11858741 0.79 MAPT (0.42) TDP1L3MBTL1MAPTRELAKMT2A
SCHEMBL4460056 0.79 CYP19A1 (0.49) TDP1KMT2AALDH1A1TSHRMAPK1
SCHEMBL4469218 0.79 CA4 (0.54) TDP1L3MBTL1CA4LTA4HCA12

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 4429/4885L3MBTL1 4661/4885MAPT 4230/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 TDP1 3508/4885L3MBTL1 4560/4885MAPT 4527/4885

“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.