SCHEMBL4469997

SCHEMBL4469997

COc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TRPA1 O75762 1/20 0.43

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
SCHEMBL14473616 0.91 CA1 (0.58) HPGDLMNANPSR1CA12CA1
Chloromethane SCHEMBL9703019 0.86 CA1 (0.65) HPGDLMNAHTTNPSR1CA12
SCHEMBL2226770 0.83
SCHEMBL154527 0.83
SCHEMBL11872451 0.83 ACHE (0.65) HPGDLMNANPSR1CA12CA1
SCHEMBL4469218 0.83 CA4 (0.54) LMNAHTTCA12CA1CA2
SCHEMBL11858433 0.81 RELA (0.50) LMNAHTTALDH1A1SMN1; SMN2NPC1
Water SCHEMBL9443323 0.81 CA1 (0.65) HPGDNPSR1CA12CA1CA2
SCHEMBL4444134 0.81 CA1 (0.65) HPGDNPSR1CA12CA1CA2
Hydrochloric Acid SCHEMBL11293911 0.81 CA1 (0.65) HPGDNPSR1CA12CA1CA2

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 HPGD 259/4885LMNA 3995/4885HTT 3224/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 HPGD 351/4885LMNA 4186/4885HTT 3764/4885

“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.