SCHEMBL4470543

SCHEMBL4470543

Cc1ccc(C(Cl)(Cl)c2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 6/20 0.38
CYP19A1 P11511 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
ADRA1A P35348 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 1/20 0.34
KCNA3 P22001 2/20 0.33
ACHE P22303 2/20 0.33
KIF11 P52732 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL11860326 0.84 HSD11B1 (0.47) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL4460056 0.83 CYP19A1 (0.49) KCNN4TSHRCYP19A1LMNACYP3A4
SCHEMBL6337202 0.83 KCNN4 (0.59) KCNN4RAB9ATSHRCYP19A1HTR2A
SCHEMBL4118202 0.81 KCNN4 (0.48) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL4469654 0.80 CYP19A1 (0.53) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL11871226 0.80 KCNN4 (0.42) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL11877006 0.79 KCNN4 (0.43) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL11866598 0.79 CYP1A2 (0.44) KCNN4RAB9ANPC1TSHRCYP19A1
SCHEMBL4457317 0.79 TDP1 (0.46) KCNN4TSHRKCNH2LMNAKIF11
SCHEMBL4475144 0.78 TSHR (0.50) KCNN4RAB9ATSHRCYP19A1HTR2A

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 KCNN4 1843/4885RAB9A 2171/4885NPC1 961/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 KCNN4 1690/4885RAB9A 2321/4885NPC1 519/4885

“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.